3-azanyl-2-chloranyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid

Systemtic Name: 3-azanyl-2-chloranyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid Openeye Name: 3-amino-4-(1-tert-butoxycarbonyl-4-piperidyl)-2-chloro-benzoic acid CAS Name: 3-amino-2-chloro-4-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]benzoic acid IUPAC Name: 3-amino-2-chloro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid Traditional Name: 3-amino-4-(1-tert-butoxycarbonyl-4-piperidyl)-2-chloro-benzoic acid Formula: C17H23ClN2O4 MolecularWeight: 354.82852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C(=C(C=C2)C(=O)O)Cl)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C(=C(C=C2)C(=O)O)Cl)N

InChI

InChI=1S/C17H23ClN2O4/c1-17(2,3)24-16(23)20-8-6-10(7-9-20)11-4-5-12(15(21)22)13(18)14(11)19/h4-5,10H,6-9,19H2,1-3H3,(H,21,22)