2-{[2-(1H-indol-3-yl)ethyl]amino}-4-(4-methylphenyl)-4-oxobutanoic acid

CAS: 1024718-82-8

Formula: C21H22N2O3

SMILES: CC1=CC=C(C=C1)C(=O)CC(NCCC1=CNC2=CC=CC=C12)C(O)=O

IUPAC: 2-{[2-(1H-indol-3-yl)ethyl]amino}-4-(4-methylphenyl)-4-oxobutanoic acid

InChI: InChI=1/C21H22N2O3/c1-14-6-8-15(9-7-14)20(24)12-19(21(25)26)22-11-10-16-13-23-18-5-3-2-4-17(16)18/h2-9,13,19,22-23H,10-12H2,1H3,(H,25,26)

Composition: C (71.98%), H (6.33%), N (7.99%), O (13.70%)

Molar Mass: 350.418

Atom Count: 48

Heavy Atom Count: 26