3-[1-[2-(4-acetyloxy-3-chloranyl-phenyl)ethanoyl]-3,4-dihydro-2H-quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[1-[2-(4-acetyloxy-3-chloranyl-phenyl)ethanoyl]-3,4-dihydro-2H-quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-[1-[2-(4-acetoxy-3-chloro-phenyl)acetyl]-3,4-dihydro-2H-quinolin-6-yl]-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-[1-[2-(4-acetyloxy-3-chlorophenyl)-1-oxoethyl]-3,4-dihydro-2H-quinolin-6-yl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[1-[2-(4-acetyloxy-3-chlorophenyl)acetyl]-3,4-dihydro-2H-quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-[1-[2-(4-acetoxy-3-chloro-phenyl)acetyl]-3,4-dihydro-2H-quinolin-6-yl]-2-(tert-butoxycarbonylamino)propionic acid Formula: C27H31ClN2O7 MolecularWeight: 530.99724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CC(=O)N2CCCC3=C2C=CC(=C3)CC(C(=O)O)NC(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)CC(=O)N2CCCC3=C2C=CC(=C3)CC(C(=O)O)NC(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C27H31ClN2O7/c1-16(31)36-23-10-8-18(13-20(23)28)15-24(32)30-11-5-6-19-12-17(7-9-22(19)30)14-21(25(33)34)29-26(35)37-27(2,3)4/h7-10,12-13,21H,5-6,11,14-15H2,1-4H3,(H,29,35)(H,33,34)