(phenylmethyl) 4-[1-(1H-imidazol-5-ylmethyl)-5-methyl-4-naphthalen-1-ylcarbonyl-pyrrol-3-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[1-(1H-imidazol-5-ylmethyl)-5-methyl-4-naphthalen-1-ylcarbonyl-pyrrol-3-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[1-(1H-imidazol-5-ylmethyl)-5-methyl-4-(naphthalene-1-carbonyl)pyrrol-3-yl]piperidine-1-carboxylate CAS Name: 4-[1-(1H-imidazol-5-ylmethyl)-5-methyl-4-[1-naphthalenyl(oxo)methyl]-3-pyrrolyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[1-(1H-imidazol-5-ylmethyl)-5-methyl-4-(naphthalene-1-carbonyl)pyrrol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[1-(1H-imidazol-5-ylmethyl)-5-methyl-4-(1-naphthoyl)pyrrol-3-yl]piperidine-1-carboxylic acid benzyl ester Formula: C33H32N4O3 MolecularWeight: 532.63218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN1CC2=CN=CN2)C3CCN(CC3)C(=O)OCC4=CC=CC=C4)C(=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CC1=C(C(=CN1CC2=CN=CN2)C3CCN(CC3)C(=O)OCC4=CC=CC=C4)C(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C33H32N4O3/c1-23-31(32(38)29-13-7-11-25-10-5-6-12-28(25)29)30(20-37(23)19-27-18-34-22-35-27)26-14-16-36(17-15-26)33(39)40-21-24-8-3-2-4-9-24/h2-13,18,20,22,26H,14-17,19,21H2,1H3,(H,34,35)