methyl 3-(imidazol-1-ylmethyl)-1-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]indole-6-carboxylate

Systemtic Name: methyl 3-(imidazol-1-ylmethyl)-1-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]indole-6-carboxylate Openeye Name: methyl 1-[3-(4-benzyl-1-piperidyl)propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylate CAS Name: 3-(1-imidazolylmethyl)-1-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(4-benzylpiperidin-1-yl)propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylate Traditional Name: 1-[3-(4-benzylpiperidino)propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid methyl ester Formula: C29H34N4O2 MolecularWeight: 470.60586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=CN2CCCN3CCC(CC3)CC4=CC=CC=C4)CN5C=CN=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=CN2CCCN3CCC(CC3)CC4=CC=CC=C4)CN5C=CN=C5

InChI

InChI=1S/C29H34N4O2/c1-35-29(34)25-8-9-27-26(20-32-17-12-30-22-32)21-33(28(27)19-25)14-5-13-31-15-10-24(11-16-31)18-23-6-3-2-4-7-23/h2-4,6-9,12,17,19,21-22,24H,5,10-11,13-16,18,20H2,1H3