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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCNC(=O)C1=CC(=C(C=C1OC)N)Cl)(C(=O)O)N2CCCCC2

Isomeric SMILES

CCC(CCNC(=O)C1=CC(=C(C=C1OC)N)Cl)(C(=O)O)N2CCCCC2

InChI

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