4-[(4-chlorophenyl)amino]-2-[2-(1H-indol-3-yl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-chlorophenyl)amino]-2-[2-(1H-indol-3-yl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-chloroanilino)-2-[2-(1H-indol-3-yl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-(4-chloroanilino)-2-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-(4-chloroanilino)-2-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-(4-chloroanilino)-2-[2-(1H-indol-3-yl)ethylamino]-4-keto-butyric acid Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNC(CC(=O)NC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC(CC(=O)NC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C20H20ClN3O3/c21-14-5-7-15(8-6-14)24-19(25)11-18(20(26)27)22-10-9-13-12-23-17-4-2-1-3-16(13)17/h1-8,12,18,22-23H,9-11H2,(H,24,25)(H,26,27)