methyl 4-chloranyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-(p-tolylmethyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[[1-[(4-methylphenyl)methyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[[1-(4-methylbenzyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C22H25ClN2O3/c1-15-3-5-16(6-4-15)14-25-11-9-17(10-12-25)21(26)24-20-13-18(22(27)28-2)7-8-19(20)23/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,26)