4-[4-[3-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]propyl]piperidin-1-yl]butanoic acid

Systemtic Name: 4-[4-[3-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]propyl]piperidin-1-yl]butanoic acid Openeye Name: 4-[4-[3-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]propyl]-1-piperidyl]butanoic acid CAS Name: 4-[4-[3-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]propyl]-1-piperidinyl]butanoic acid IUPAC Name: 4-[4-[3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]propyl]piperidin-1-yl]butanoic acid Traditional Name: 4-[4-[3-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]propyl]piperidino]butyric acid Formula: C20H30ClN3O4 MolecularWeight: 411.9229

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NCCCC2CCN(CC2)CCCC(=O)O)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NCCCC2CCN(CC2)CCCC(=O)O)Cl)N

InChI

InChI=1S/C20H30ClN3O4/c1-28-18-13-17(22)16(21)12-15(18)20(27)23-8-2-4-14-6-10-24(11-7-14)9-3-5-19(25)26/h12-14H,2-11,22H2,1H3,(H,23,27)(H,25,26)