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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1CCC(C(C1)C)NC(=O)C2=CC(=C(C=C2OC)N)Cl

Isomeric SMILES

CCC(C(=O)O)N1CCC(C(C1)C)NC(=O)C2=CC(=C(C=C2OC)N)Cl

InChI

InChI=1S/C18H26ClN3O4/c1-4-15(18(24)25)22-6-5-14(10(2)9-22)21-17(23)11-7-12(19)13(20)8-16(11)26-3/h7-8,10,14-15H,4-6,9,20H2,1-3H3,(H,21,23)(H,24,25)