2-[3-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-7-methyl-2-[(4-oxidanyl-4-oxidanylidene-butyl)carbamoyl]quinolin-4-yl]oxy-2-methyl-propanoic acid

Systemtic Name: 2-[3-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-7-methyl-2-[(4-oxidanyl-4-oxidanylidene-butyl)carbamoyl]quinolin-4-yl]oxy-2-methyl-propanoic acid Openeye Name: 2-[[3-(4-ethoxycarbonylpiperazine-1-carbonyl)-2-[(4-hydroxy-4-oxo-butyl)carbamoyl]-7-methyl-4-quinolyl]oxy]-2-methyl-propanoic acid CAS Name: 2-[[3-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]-2-[[(4-hydroxy-4-oxobutyl)amino]-oxomethyl]-7-methyl-4-quinolinyl]oxy]-2-methylpropanoic acid IUPAC Name: 2-[3-(4-ethoxycarbonylpiperazine-1-carbonyl)-2-[(4-hydroxy-4-oxobutyl)carbamoyl]-7-methylquinolin-4-yl]oxy-2-methylpropanoic acid Traditional Name: 2-[[3-(4-carbethoxypiperazine-1-carbonyl)-2-[(4-hydroxy-4-keto-butyl)carbamoyl]-7-methyl-4-quinolyl]oxy]-2-methyl-propionic acid Formula: C27H34N4O9 MolecularWeight: 558.58026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(C=C(C=C3)C)N=C2C(=O)NCCCC(=O)O)OC(C)(C)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(C=C(C=C3)C)N=C2C(=O)NCCCC(=O)O)OC(C)(C)C(=O)O

InChI

InChI=1S/C27H34N4O9/c1-5-39-26(38)31-13-11-30(12-14-31)24(35)20-21(23(34)28-10-6-7-19(32)33)29-18-15-16(2)8-9-17(18)22(20)40-27(3,4)25(36)37/h8-9,15H,5-7,10-14H2,1-4H3,(H,28,34)(H,32,33)(H,36,37)