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

Systemtic Name: 4-[4-[[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]methyl]piperidin-1-yl]butanoic acid Openeye Name: 4-[4-[[(4-amino-5-chloro-2-methoxy-benzoyl)amino]methyl]-1-piperidyl]butanoic acid CAS Name: 4-[4-[[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]methyl]-1-piperidinyl]butanoic acid IUPAC Name: 4-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]butanoic acid Traditional Name: 4-[4-[[(4-amino-5-chloro-2-methoxy-benzoyl)amino]methyl]piperidino]butyric acid Formula: C18H26ClN3O4 MolecularWeight: 383.86974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NCC2CCN(CC2)CCCC(=O)O)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NCC2CCN(CC2)CCCC(=O)O)Cl)N

InChI

InChI=1S/C18H26ClN3O4/c1-26-16-10-15(20)14(19)9-13(16)18(25)21-11-12-4-7-22(8-5-12)6-2-3-17(23)24/h9-10,12H,2-8,11,20H2,1H3,(H,21,25)(H,23,24)