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

Systemtic Name: methyl 4-chloranyl-3-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-[(3-methoxyphenyl)methyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[[1-[(3-methoxyphenyl)methyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[1-[(3-methoxyphenyl)methyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[(1-m-anisylisonipecotoyl)amino]benzoic acid methyl ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C22H25ClN2O4/c1-28-18-5-3-4-15(12-18)14-25-10-8-16(9-11-25)21(26)24-20-13-17(22(27)29-2)6-7-19(20)23/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,24,26)