methyl (3S)-2-[(2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl (3S)-2-[(2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl (3S)-2-[(2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate CAS Name: (3S)-2-[(2E,4E)-5-(2-methoxyphenyl)-1-oxopenta-2,4-dienyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-[(2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Traditional Name: (3S)-2-[(2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoyl]-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid methyl ester Formula: C25H24N2O4 MolecularWeight: 416.46906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC=CC(=O)N2CC3=C(CC2C(=O)OC)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C=C/C(=O)N2CC3=C(C[C@H]2C(=O)OC)C4=CC=CC=C4N3

InChI

InChI=1S/C25H24N2O4/c1-30-23-13-7-3-9-17(23)10-4-8-14-24(28)27-16-21-19(15-22(27)25(29)31-2)18-11-5-6-12-20(18)26-21/h3-14,22,26H,15-16H2,1-2H3/b10-4+,14-8+/t22-/m0/s1