(phenylmethyl) 2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]piperidin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]piperidin-1-yl]ethanoate Openeye Name: benzyl 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-piperidyl]acetate CAS Name: 2-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-1-piperidinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]acetate Traditional Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]piperidino]acetic acid benzyl ester Formula: C22H26ClN3O4 MolecularWeight: 431.91254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC(=O)OCC3=CC=CC=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC(=O)OCC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C22H26ClN3O4/c1-29-20-12-19(24)18(23)11-17(20)22(28)25-16-7-9-26(10-8-16)13-21(27)30-14-15-5-3-2-4-6-15/h2-6,11-12,16H,7-10,13-14,24H2,1H3,(H,25,28)