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

Systemtic Name: 4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-2-(3-methylpiperidin-1-yl)butanoic acid Openeye Name: 4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-2-(3-methyl-1-piperidyl)butanoic acid CAS Name: 4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-2-(3-methyl-1-piperidinyl)butanoic acid IUPAC Name: 4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-(3-methylpiperidin-1-yl)butanoic acid Traditional Name: 4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-2-(3-methylpiperidino)butyric acid Formula: C18H26ClN3O4 MolecularWeight: 383.86974

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(CCNC(=O)C2=CC(=C(C=C2OC)N)Cl)C(=O)O

Isomeric SMILES

CC1CCCN(C1)C(CCNC(=O)C2=CC(=C(C=C2OC)N)Cl)C(=O)O

InChI

InChI=1S/C18H26ClN3O4/c1-11-4-3-7-22(10-11)15(18(24)25)5-6-21-17(23)12-8-13(19)14(20)9-16(12)26-2/h8-9,11,15H,3-7,10,20H2,1-2H3,(H,21,23)(H,24,25)