(phenylmethyl) 4-[(3-methyl-1-benzothiophen-2-yl)methylcarbamoyl]-4-phenyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(3-methyl-1-benzothiophen-2-yl)methylcarbamoyl]-4-phenyl-piperidine-1-carboxylate Openeye Name: benzyl 4-[(3-methylbenzothiophen-2-yl)methylcarbamoyl]-4-phenyl-piperidine-1-carboxylate CAS Name: 4-[[(3-methyl-1-benzothiophen-2-yl)methylamino]-oxomethyl]-4-phenyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(3-methyl-1-benzothiophen-2-yl)methylcarbamoyl]-4-phenylpiperidine-1-carboxylate Traditional Name: 4-[(3-methylbenzothiophen-2-yl)methylcarbamoyl]-4-phenyl-piperidine-1-carboxylic acid benzyl ester Formula: C30H30N2O3S MolecularWeight: 498.6358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CNC(=O)C3(CCN(CC3)C(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CNC(=O)C3(CCN(CC3)C(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H30N2O3S/c1-22-25-14-8-9-15-26(25)36-27(22)20-31-28(33)30(24-12-6-3-7-13-24)16-18-32(19-17-30)29(34)35-21-23-10-4-2-5-11-23/h2-15H,16-21H2,1H3,(H,31,33)