(3-cyanophenyl)methyl-[5-[4-(3-methylphenyl)piperidin-1-yl]carbonylpyridin-3-yl]carbamic acid

Systemtic Name: (3-cyanophenyl)methyl-[5-[4-(3-methylphenyl)piperidin-1-yl]carbonylpyridin-3-yl]carbamic acid Openeye Name: (3-cyanophenyl)methyl-[5-[4-(m-tolyl)piperidine-1-carbonyl]-3-pyridyl]carbamic acid CAS Name: (3-cyanophenyl)methyl-[5-[[4-(3-methylphenyl)-1-piperidinyl]-oxomethyl]-3-pyridinyl]carbamic acid IUPAC Name: (3-cyanophenyl)methyl-[5-[4-(3-methylphenyl)piperidine-1-carbonyl]pyridin-3-yl]carbamic acid Traditional Name: (3-cyanobenzyl)-[5-[4-(m-tolyl)piperidine-1-carbonyl]-3-pyridyl]carbamic acid Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CCN(CC2)C(=O)C3=CC(=CN=C3)N(CC4=CC=CC(=C4)C#N)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2CCN(CC2)C(=O)C3=CC(=CN=C3)N(CC4=CC=CC(=C4)C#N)C(=O)O

InChI

InChI=1S/C27H26N4O3/c1-19-4-2-7-23(12-19)22-8-10-30(11-9-22)26(32)24-14-25(17-29-16-24)31(27(33)34)18-21-6-3-5-20(13-21)15-28/h2-7,12-14,16-17,22H,8-11,18H2,1H3,(H,33,34)