methyl (6E)-3-[(E)-3-oxidanylidenebut-1-enyl]-2,4,5,8-tetrahydro-1H-azonino[5,4-b]indole-7-carboxylate

Systemtic Name: methyl (6E)-3-[(E)-3-oxidanylidenebut-1-enyl]-2,4,5,8-tetrahydro-1H-azonino[5,4-b]indole-7-carboxylate Openeye Name: methyl (6E)-3-[(E)-3-oxobut-1-enyl]-2,4,5,8-tetrahydro-1H-azonino[5,4-b]indole-7-carboxylate CAS Name: (6E)-3-[(E)-3-oxobut-1-enyl]-2,4,5,8-tetrahydro-1H-azonino[5,4-b]indole-7-carboxylic acid methyl ester IUPAC Name: methyl (6E)-3-[(E)-3-oxobut-1-enyl]-2,4,5,8-tetrahydro-1H-azonino[5,4-b]indole-7-carboxylate Traditional Name: (6E)-3-[(E)-3-ketobut-1-enyl]-2,4,5,8-tetrahydro-1H-azonin[5,4-b]indole-7-carboxylic acid methyl ester Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CN1CCC=C(C2=C(CC1)C3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

CC(=O)/C=C/N1CC/C=C(\C2=C(CC1)C3=CC=CC=C3N2)/C(=O)OC

InChI

InChI=1S/C20H22N2O3/c1-14(23)9-12-22-11-5-7-17(20(24)25-2)19-16(10-13-22)15-6-3-4-8-18(15)21-19/h3-4,6-9,12,21H,5,10-11,13H2,1-2H3/b12-9+,17-7+