2-[1-(carboxymethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxidanylidene-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxidanylidene-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-2-oxo-3-(p-tolylcarbamoylamino)indolin-3-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-3-[[(4-methylanilino)-oxomethyl]amino]-2-oxo-3-indolyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid Traditional Name: 2-[1-(carboxymethyl)-2-keto-3-(p-tolylcarbamoylamino)indolin-3-yl]acetic acid Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2(C3=CC=CC=C3N(C2=O)CC(=O)O)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2(C3=CC=CC=C3N(C2=O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C20H19N3O6/c1-12-6-8-13(9-7-12)21-19(29)22-20(10-16(24)25)14-4-2-3-5-15(14)23(18(20)28)11-17(26)27/h2-9H,10-11H2,1H3,(H,24,25)(H,26,27)(H2,21,22,29)