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

Systemtic Name: methyl 4-chloranyl-3-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-(1-naphthylmethyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[[1-(1-naphthalenylmethyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[1-(naphthalen-1-ylmethyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[[1-(1-naphthylmethyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C25H25ClN2O3 MolecularWeight: 436.9306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H25ClN2O3/c1-31-25(30)19-9-10-22(26)23(15-19)27-24(29)18-11-13-28(14-12-18)16-20-7-4-6-17-5-2-3-8-21(17)20/h2-10,15,18H,11-14,16H2,1H3,(H,27,29)