methyl (2S)-3-(1H-indol-3-yl)-2-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methylamino]propanoate Openeye Name: methyl (2S)-2-[(5-allyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(6-oxo-5-prop-2-enylcyclohexa-2,4-dien-1-ylidene)methylamino]propanoate Traditional Name: (2S)-2-[(5-allyl-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC=C3C=CC=C(C3=O)CC=C

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC=C3C=CC=C(C3=O)CC=C

InChI

InChI=1S/C22H22N2O3/c1-3-7-15-8-6-9-16(21(15)25)13-24-20(22(26)27-2)12-17-14-23-19-11-5-4-10-18(17)19/h3-6,8-11,13-14,20,23-24H,1,7,12H2,2H3/t20-/m0/s1