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

Systemtic Name: 2-[(4-chlorophenyl)carbonylamino]-3-(2-oxidanylidene-1-prop-2-ynyl-3H-indol-3-yl)propanoic acid Openeye Name: 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1-prop-2-ynyl-indolin-3-yl)propanoic acid CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-3-(2-oxo-1-prop-2-ynyl-3H-indol-3-yl)propanoic acid IUPAC Name: 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1-prop-2-ynyl-3H-indol-3-yl)propanoic acid Traditional Name: 2-[(4-chlorobenzoyl)amino]-3-(2-keto-1-propargyl-indolin-3-yl)propionic acid Formula: C21H17ClN2O4 MolecularWeight: 396.82368

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=CC=CC=C2C(C1=O)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C#CCN1C2=CC=CC=C2C(C1=O)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClN2O4/c1-2-11-24-18-6-4-3-5-15(18)16(20(24)26)12-17(21(27)28)23-19(25)13-7-9-14(22)10-8-13/h1,3-10,16-17H,11-12H2,(H,23,25)(H,27,28)