methyl 3-[4-[3-[(4-cyanophenyl)methyl]piperidin-1-yl]butyl]-1H-indole-6-carboxylate

Systemtic Name: methyl 3-[4-[3-[(4-cyanophenyl)methyl]piperidin-1-yl]butyl]-1H-indole-6-carboxylate Openeye Name: methyl 3-[4-[3-[(4-cyanophenyl)methyl]-1-piperidyl]butyl]-1H-indole-6-carboxylate CAS Name: 3-[4-[3-[(4-cyanophenyl)methyl]-1-piperidinyl]butyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-[3-[(4-cyanophenyl)methyl]piperidin-1-yl]butyl]-1H-indole-6-carboxylate Traditional Name: 3-[4-[3-(4-cyanobenzyl)piperidino]butyl]-1H-indole-6-carboxylic acid methyl ester Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=CN2)CCCCN3CCCC(C3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=CN2)CCCCN3CCCC(C3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H31N3O2/c1-32-27(31)23-11-12-25-24(18-29-26(25)16-23)6-2-3-13-30-14-4-5-22(19-30)15-20-7-9-21(17-28)10-8-20/h7-12,16,18,22,29H,2-6,13-15,19H2,1H3