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

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]propanoate Openeye Name: methyl (2S)-2-[(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC=C3C=CC(=O)C=C3O

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC=C3C=CC(=O)C=C3O

InChI

InChI=1S/C19H18N2O4/c1-25-19(24)17(21-10-12-6-7-14(22)9-18(12)23)8-13-11-20-16-5-3-2-4-15(13)16/h2-7,9-11,17,20-21,23H,8H2,1H3/t17-/m0/s1