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

Systemtic Name: 3-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-3-methoxy-piperidin-1-yl]propanoic acid Openeye Name: 3-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-3-methoxy-1-piperidyl]propanoic acid CAS Name: 3-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-3-methoxy-1-piperidinyl]propanoic acid IUPAC Name: 3-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]propanoic acid Traditional Name: 3-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-3-methoxy-piperidino]propionic acid Formula: C17H24ClN3O5 MolecularWeight: 385.84256

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCC(=O)O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCC(=O)O

InChI

InChI=1S/C17H24ClN3O5/c1-25-14-8-12(19)11(18)7-10(14)17(24)20-13-3-5-21(6-4-16(22)23)9-15(13)26-2/h7-8,13,15H,3-6,9,19H2,1-2H3,(H,20,24)(H,22,23)