ethyl 1-(3-methylphenyl)carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(3-methylphenyl)carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(3-methylbenzoyl)-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[(3-methylphenyl)-oxomethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methylbenzoyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-m-toluoyl-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC(=CC=C2)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC(=CC=C2)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C25H31NO3/c1-3-29-24(28)25(14-8-12-21-10-5-4-6-11-21)15-17-26(18-16-25)23(27)22-13-7-9-20(2)19-22/h4-7,9-11,13,19H,3,8,12,14-18H2,1-2H3