2-[(4-chlorophenyl)carbonylamino]-3-[2-oxidanylidene-1-(phenylmethyl)-3H-indol-3-yl]propanoic acid

Systemtic Name: 2-[(4-chlorophenyl)carbonylamino]-3-[2-oxidanylidene-1-(phenylmethyl)-3H-indol-3-yl]propanoic acid Openeye Name: 3-(1-benzyl-2-oxo-indolin-3-yl)-2-[(4-chlorobenzoyl)amino]propanoic acid CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-3-[2-oxo-1-(phenylmethyl)-3H-indol-3-yl]propanoic acid IUPAC Name: 3-(1-benzyl-2-oxo-3H-indol-3-yl)-2-[(4-chlorobenzoyl)amino]propanoic acid Traditional Name: 3-(1-benzyl-2-keto-indolin-3-yl)-2-[(4-chlorobenzoyl)amino]propionic acid Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(C2=O)CC(C(=O)O)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(C2=O)CC(C(=O)O)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN2O4/c26-18-12-10-17(11-13-18)23(29)27-21(25(31)32)14-20-19-8-4-5-9-22(19)28(24(20)30)15-16-6-2-1-3-7-16/h1-13,20-21H,14-15H2,(H,27,29)(H,31,32)