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

Systemtic Name: (phenylmethyl) 2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]piperidin-1-yl]-2-piperidin-4-yl-ethanoate Openeye Name: benzyl 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-piperidyl]-2-(4-piperidyl)acetate CAS Name: 2-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-1-piperidinyl]-2-(4-piperidinyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]-2-piperidin-4-ylacetate Traditional Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]piperidino]-2-(4-piperidyl)acetic acid benzyl ester Formula: C27H35ClN4O4 MolecularWeight: 515.0442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)C(C3CCNCC3)C(=O)OCC4=CC=CC=C4)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)C(C3CCNCC3)C(=O)OCC4=CC=CC=C4)Cl)N

InChI

InChI=1S/C27H35ClN4O4/c1-35-24-16-23(29)22(28)15-21(24)26(33)31-20-9-13-32(14-10-20)25(19-7-11-30-12-8-19)27(34)36-17-18-5-3-2-4-6-18/h2-6,15-16,19-20,25,30H,7-14,17,29H2,1H3,(H,31,33)