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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CC(C)C(=O)O

Isomeric SMILES

CC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CC(C)C(=O)O

InChI

InChI=1S/C18H26ClN3O4/c1-10-8-22(9-11(2)18(24)25)5-4-15(10)21-17(23)12-6-13(19)14(20)7-16(12)26-3/h6-7,10-11,15H,4-5,8-9,20H2,1-3H3,(H,21,23)(H,24,25)