ethyl 5-[4-(hydroxymethyl)-4-(phenylmethyl)piperidin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[4-(hydroxymethyl)-4-(phenylmethyl)piperidin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[4-benzyl-4-(hydroxymethyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(hydroxymethyl)-4-(phenylmethyl)-1-piperidinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-benzyl-4-(hydroxymethyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(4-benzyl-4-methylol-piperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC(CC2)(CC3=CC=CC=C3)CO)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC(CC2)(CC3=CC=CC=C3)CO)C

InChI

InChI=1S/C23H30N2O4/c1-4-29-22(28)19-16(2)20(24-17(19)3)21(27)25-12-10-23(15-26,11-13-25)14-18-8-6-5-7-9-18/h5-9,24,26H,4,10-15H2,1-3H3