methyl (3S)-1-[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-methoxy-phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl (3S)-1-[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-methoxy-phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl (3S)-1-[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-methoxy-phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: (3S)-1-[3-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-1-[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: (3S)-1-[3-[[4-(2-fluorophenyl)piperazino]methyl]-4-methoxy-phenyl]-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid methyl ester Formula: C31H33FN4O3 MolecularWeight: 528.617123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3)CN5CCN(CC5)C6=CC=CC=C6F

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=C(C[C@H](N2)C(=O)OC)C4=CC=CC=C4N3)CN5CCN(CC5)C6=CC=CC=C6F

InChI

InChI=1S/C31H33FN4O3/c1-38-28-12-11-20(17-21(28)19-35-13-15-36(16-14-35)27-10-6-4-8-24(27)32)29-30-23(18-26(34-29)31(37)39-2)22-7-3-5-9-25(22)33-30/h3-12,17,26,29,33-34H,13-16,18-19H2,1-2H3/t26-,29?/m0/s1