2-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]propionic acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNC(CC2=CNC3=CC=CC=C32)C(=O)O)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=CNC(CC2=CNC3=CC=CC=C32)C(=O)O)C=C(C1=O)OC

InChI

InChI=1S/C20H20N2O5/c1-26-17-7-12(8-18(27-2)19(17)23)10-21-16(20(24)25)9-13-11-22-15-6-4-3-5-14(13)15/h3-8,10-11,16,21-22H,9H2,1-2H3,(H,24,25)