(phenylmethyl) (1S,3R)-1-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: (phenylmethyl) (1S,3R)-1-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: benzyl (1S,3R)-1-[(E)-4-methoxy-4-oxo-but-2-enyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: (1S,3R)-1-[(E)-4-methoxy-4-oxobut-2-enyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,3R)-1-[(E)-4-methoxy-4-oxobut-2-enyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: (1S,3R)-1-[(E)-4-keto-4-methoxy-but-2-enyl]-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid benzyl ester Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCC1C2=C(CC(N1)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4N2

Isomeric SMILES

COC(=O)/C=C/C[C@H]1C2=C(C[C@@H](N1)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4N2

InChI

InChI=1S/C24H24N2O4/c1-29-22(27)13-7-12-20-23-18(17-10-5-6-11-19(17)26-23)14-21(25-20)24(28)30-15-16-8-3-2-4-9-16/h2-11,13,20-21,25-26H,12,14-15H2,1H3/b13-7+/t20-,21+/m0/s1