methyl 2-{6'-ethyl-2-oxo-3',5',6',7',8',8'a-hexahydro-1H,2'H-spiro[indole-3,1'-indolizin]-7'-yl}-3-methoxyprop-2-enoate

methyl 2-{6'-ethyl-2-oxo-3',5',6',7',8',8'a-hexahydro-1H,2'H-spiro[indole-3,1'-indolizin]-7'-yl}-3-methoxyprop-2-enoate

CAS: 6859-01-4

Formula: C22H28N2O4

SMILES: CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C(=O)NC1=CC=CC=C31

IUPAC: methyl 2-{6'-ethyl-2-oxo-1,2,3',5',6',7',8',8'a-octahydro-2'H-spiro[indole-3,1'-indolizin]-7'-yl}-3-methoxyprop-2-enoate

InChI: InChI=1/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)

Composition: C (68.73%), H (7.34%), N (7.29%), O (16.64%)

Molar Mass: 384.476

Atom Count: 56

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	4
Exact Mass	384.20490739
Formal Charge	0
FSP3	0.55
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DAXYUDFNWXHGBE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.01
Topological Polar Surface Area	67.87
Polarizability	41.55
Ring Count	4
Rotatable Bond Count	5

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