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

Systemtic Name: cyanomethyl 2-[(4-chlorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: cyanomethyl 2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propionic acid cyanomethyl ester Formula: C20H16ClN3O3 MolecularWeight: 381.81234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O3/c21-15-7-5-13(6-8-15)19(25)24-18(20(26)27-10-9-22)11-14-12-23-17-4-2-1-3-16(14)17/h1-8,12,18,23H,10-11H2,(H,24,25)