(4-cyanophenyl)methyl 2-[(4-chlorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (4-cyanophenyl)methyl 2-[(4-chlorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (4-cyanophenyl)methyl 2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propionic acid (4-cyanobenzyl) ester Formula: C26H20ClN3O3 MolecularWeight: 457.9083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC3=CC=C(C=C3)C#N)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC3=CC=C(C=C3)C#N)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H20ClN3O3/c27-21-11-9-19(10-12-21)25(31)30-24(13-20-15-29-23-4-2-1-3-22(20)23)26(32)33-16-18-7-5-17(14-28)6-8-18/h1-12,15,24,29H,13,16H2,(H,30,31)