N-[(3S,4S)-3-cyano-1-(phenylmethyl)piperidin-4-yl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[(3S,4S)-3-cyano-1-(phenylmethyl)piperidin-4-yl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(3S,4S)-1-benzyl-3-cyano-4-piperidyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[(3S,4S)-3-cyano-1-(phenylmethyl)-4-piperidinyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(3S,4S)-1-benzyl-3-cyanopiperidin-4-yl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(3S,4S)-1-benzyl-3-cyano-4-piperidyl]-3,4,5-trimethoxy-benzamide Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCN(CC2C#N)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N[C@H]2CCN(C[C@@H]2C#N)CC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4/c1-28-20-11-17(12-21(29-2)22(20)30-3)23(27)25-19-9-10-26(15-18(19)13-24)14-16-7-5-4-6-8-16/h4-8,11-12,18-19H,9-10,14-15H2,1-3H3,(H,25,27)/t18-,19-/m0/s1