4-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]phenyl 4-tert-butylbenzoate

4-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]phenyl 4-tert-butylbenzoate

Formula: C23H23NO4

SMILES: CCOC(=O)C(=CC1=CC=C(OC(=O)C2=CC=C(C=C2)C(C)(C)C)C=C1)C#N

IUPAC: 4-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]phenyl 4-tert-butylbenzoate

InChI: InChI=1S/C23H23NO4/c1-5-27-21(25)18(15-24)14-16-6-12-20(13-7-16)28-22(26)17-8-10-19(11-9-17)23(2,3)4/h6-14H,5H2,1-4H3/b18-14+

Composition: C (73.19%), H (6.14%), N (3.71%), O (16.96%)

Molar Mass: 377.44

Atom Count: 51

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	377.162708225
Formal Charge	0
FSP3	0.26
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	WTJHYVGSVJNPAC-NBVRZTHBSA-N
Lipinski's Rule of Five
Molar Refractivity	108.1
Topological Polar Surface Area	76.39
Polarizability	41.17
Ring Count	2
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H23NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00