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

Systemtic Name: 4-[3-[[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]methyl]pyrrolidin-1-yl]butanoic acid Openeye Name: 4-[3-[[(4-amino-5-chloro-2-methoxy-benzoyl)amino]methyl]pyrrolidin-1-yl]butanoic acid CAS Name: 4-[3-[[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]methyl]-1-pyrrolidinyl]butanoic acid IUPAC Name: 4-[3-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]pyrrolidin-1-yl]butanoic acid Traditional Name: 4-[3-[[(4-amino-5-chloro-2-methoxy-benzoyl)amino]methyl]pyrrolidino]butyric acid Formula: C17H24ClN3O4 MolecularWeight: 369.84316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NCC2CCN(C2)CCCC(=O)O)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NCC2CCN(C2)CCCC(=O)O)Cl)N

InChI

InChI=1S/C17H24ClN3O4/c1-25-15-8-14(19)13(18)7-12(15)17(24)20-9-11-4-6-21(10-11)5-2-3-16(22)23/h7-8,11H,2-6,9-10,19H2,1H3,(H,20,24)(H,22,23)