2-[C-(carboxymethyl)-N-[2-(1H-indol-3-yl)ethyl]carbonimidoyl]-6-methoxy-benzoic acid

Systemtic Name: 2-[C-(carboxymethyl)-N-[2-(1H-indol-3-yl)ethyl]carbonimidoyl]-6-methoxy-benzoic acid Openeye Name: 2-[C-(carboxymethyl)-N-[2-(1H-indol-3-yl)ethyl]carbonimidoyl]-6-methoxy-benzoic acid CAS Name: 2-[3-hydroxy-1-[2-(1H-indol-3-yl)ethylimino]-3-oxopropyl]-6-methoxybenzoic acid IUPAC Name: 2-[C-(carboxymethyl)-N-[2-(1H-indol-3-yl)ethyl]carbonimidoyl]-6-methoxybenzoic acid Traditional Name: 2-[C-(carboxymethyl)-N-[2-(1H-indol-3-yl)ethyl]carbonimidoyl]-6-methoxy-benzoic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C(=O)O)C(=NCCC2=CNC3=CC=CC=C32)CC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1C(=O)O)C(=NCCC2=CNC3=CC=CC=C32)CC(=O)O

InChI

InChI=1S/C21H20N2O5/c1-28-18-8-4-6-15(20(18)21(26)27)17(11-19(24)25)22-10-9-13-12-23-16-7-3-2-5-14(13)16/h2-8,12,23H,9-11H2,1H3,(H,24,25)(H,26,27)