[3-methyl-1-(phenylmethyl)-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-yl] benzoate

Systemtic Name: [3-methyl-1-(phenylmethyl)-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-yl] benzoate Openeye Name: [1-benzyl-3-methyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-3-yl] benzoate CAS Name: benzoic acid [3-methyl-1-(phenylmethyl)-4-[(4-phenyl-1-piperidinyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: [1-benzyl-3-methyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-yl] benzoate Traditional Name: benzoic acid [1-benzyl-3-methyl-4-[(4-phenylpiperidino)methyl]pyrrolidin-3-yl] ester Formula: C31H36N2O2 MolecularWeight: 468.62974

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC1CN2CCC(CC2)C3=CC=CC=C3)CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1(CN(CC1CN2CCC(CC2)C3=CC=CC=C3)CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H36N2O2/c1-31(35-30(34)28-15-9-4-10-16-28)24-33(21-25-11-5-2-6-12-25)23-29(31)22-32-19-17-27(18-20-32)26-13-7-3-8-14-26/h2-16,27,29H,17-24H2,1H3