[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3-pyrrol-1-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3-pyrrol-1-ylbenzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C25H26N2O3/c28-24(27-15-11-21(12-16-27)17-20-7-2-1-3-8-20)19-30-25(29)22-9-6-10-23(18-22)26-13-4-5-14-26/h1-10,13-14,18,21H,11-12,15-17,19H2