4-[2-[[3-carboxy-4-(4-ethoxycarbonylpiperazin-1-yl)-4-oxidanylidene-butyl]carbamoyl]quinolin-4-yl]oxybenzoic acid

Systemtic Name: 4-[2-[[3-carboxy-4-(4-ethoxycarbonylpiperazin-1-yl)-4-oxidanylidene-butyl]carbamoyl]quinolin-4-yl]oxybenzoic acid Openeye Name: 4-[[2-[[3-carboxy-4-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-butyl]carbamoyl]-4-quinolyl]oxy]benzoic acid CAS Name: 4-[[2-[[[3-carboxy-4-(4-ethoxycarbonyl-1-piperazinyl)-4-oxobutyl]amino]-oxomethyl]-4-quinolinyl]oxy]benzoic acid IUPAC Name: 4-[2-[[3-carboxy-4-(4-ethoxycarbonylpiperazin-1-yl)-4-oxobutyl]carbamoyl]quinolin-4-yl]oxybenzoic acid Traditional Name: 4-[[2-[[3-(4-carbethoxypiperazine-1-carbonyl)-4-hydroxy-4-keto-butyl]carbamoyl]-4-quinolyl]oxy]benzoic acid Formula: C29H30N4O9 MolecularWeight: 578.5699

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCNC(=O)C2=NC3=CC=CC=C3C(=C2)OC4=CC=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCNC(=O)C2=NC3=CC=CC=C3C(=C2)OC4=CC=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C29H30N4O9/c1-2-41-29(40)33-15-13-32(14-16-33)26(35)21(28(38)39)11-12-30-25(34)23-17-24(20-5-3-4-6-22(20)31-23)42-19-9-7-18(8-10-19)27(36)37/h3-10,17,21H,2,11-16H2,1H3,(H,30,34)(H,36,37)(H,38,39)