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

Systemtic Name: (4-bromophenyl)methyl-[5-[4-(3-methylphenyl)piperidin-1-yl]carbonylpyridin-3-yl]carbamic acid Openeye Name: (4-bromophenyl)methyl-[5-[4-(m-tolyl)piperidine-1-carbonyl]-3-pyridyl]carbamic acid CAS Name: (4-bromophenyl)methyl-[5-[[4-(3-methylphenyl)-1-piperidinyl]-oxomethyl]-3-pyridinyl]carbamic acid IUPAC Name: (4-bromophenyl)methyl-[5-[4-(3-methylphenyl)piperidine-1-carbonyl]pyridin-3-yl]carbamic acid Traditional Name: (4-bromobenzyl)-[5-[4-(m-tolyl)piperidine-1-carbonyl]-3-pyridyl]carbamic acid Formula: C26H26BrN3O3 MolecularWeight: 508.40694

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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=C(C=C4)Br)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN3O3/c1-18-3-2-4-21(13-18)20-9-11-29(12-10-20)25(31)22-14-24(16-28-15-22)30(26(32)33)17-19-5-7-23(27)8-6-19/h2-8,13-16,20H,9-12,17H2,1H3,(H,32,33)