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

Systemtic Name: methyl (2S)-2-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]propionic acid methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=CN[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC)C=C(C1=O)OC

InChI

InChI=1S/C21H22N2O5/c1-26-18-8-13(9-19(27-2)20(18)24)11-22-17(21(25)28-3)10-14-12-23-16-7-5-4-6-15(14)16/h4-9,11-12,17,22-23H,10H2,1-3H3/t17-/m0/s1