(phenylmethyl) N-[5-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-2-methyl-phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[5-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-2-methyl-phenyl]carbamate Openeye Name: benzyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-phenyl]carbamate CAS Name: N-[5-[[4-(4-cyanophenyl)-1-piperidinyl]-oxomethyl]-2-methylphenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamate Traditional Name: N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-phenyl]carbamic acid benzyl ester Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O3/c1-20-7-10-25(17-26(20)30-28(33)34-19-22-5-3-2-4-6-22)27(32)31-15-13-24(14-16-31)23-11-8-21(18-29)9-12-23/h2-12,17,24H,13-16,19H2,1H3,(H,30,33)