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

Systemtic Name: methyl 4-chloranyl-3-[[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[[1-[(3-ethoxyphenyl)methyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[[1-(3-ethoxybenzyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C23H27ClN2O4 MolecularWeight: 430.92448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

CCOC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C23H27ClN2O4/c1-3-30-19-6-4-5-16(13-19)15-26-11-9-17(10-12-26)22(27)25-21-14-18(23(28)29-2)7-8-20(21)24/h4-8,13-14,17H,3,9-12,15H2,1-2H3,(H,25,27)