methyl 2-chloranyl-5-[[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-chloro-5-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 2-chloro-5-[[[1-[(3-ethoxyphenyl)methyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 2-chloro-5-[[1-(3-ethoxybenzyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C23H27ClN2O4 MolecularWeight: 430.92448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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