4-[4-[2-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]ethyl]piperidin-1-yl]butanoic acid

Systemtic Name: 4-[4-[2-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]ethyl]piperidin-1-yl]butanoic acid Openeye Name: 4-[4-[2-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]ethyl]-1-piperidyl]butanoic acid CAS Name: 4-[4-[2-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]ethyl]-1-piperidinyl]butanoic acid IUPAC Name: 4-[4-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]ethyl]piperidin-1-yl]butanoic acid Traditional Name: 4-[4-[2-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]ethyl]piperidino]butyric acid Formula: C19H28ClN3O4 MolecularWeight: 397.89632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NCCC2CCN(CC2)CCCC(=O)O)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NCCC2CCN(CC2)CCCC(=O)O)Cl)N

InChI

InChI=1S/C19H28ClN3O4/c1-27-17-12-16(21)15(20)11-14(17)19(26)22-7-4-13-5-9-23(10-6-13)8-2-3-18(24)25/h11-13H,2-10,21H2,1H3,(H,22,26)(H,24,25)