3-[2-[[3-carboxy-4-(4-ethoxycarbonylpiperazin-1-yl)-4-oxidanylidene-butyl]carbamoyl]-7-methyl-quinolin-4-yl]oxybenzoic acid

Systemtic Name: 3-[2-[[3-carboxy-4-(4-ethoxycarbonylpiperazin-1-yl)-4-oxidanylidene-butyl]carbamoyl]-7-methyl-quinolin-4-yl]oxybenzoic acid Openeye Name: 3-[[2-[[3-carboxy-4-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-butyl]carbamoyl]-7-methyl-4-quinolyl]oxy]benzoic acid CAS Name: 3-[[2-[[[3-carboxy-4-(4-ethoxycarbonyl-1-piperazinyl)-4-oxobutyl]amino]-oxomethyl]-7-methyl-4-quinolinyl]oxy]benzoic acid IUPAC Name: 3-[2-[[3-carboxy-4-(4-ethoxycarbonylpiperazin-1-yl)-4-oxobutyl]carbamoyl]-7-methylquinolin-4-yl]oxybenzoic acid Traditional Name: 3-[[2-[[3-(4-carbethoxypiperazine-1-carbonyl)-4-hydroxy-4-keto-butyl]carbamoyl]-7-methyl-4-quinolyl]oxy]benzoic acid Formula: C30H32N4O9 MolecularWeight: 592.59648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCNC(=O)C2=NC3=C(C=CC(=C3)C)C(=C2)OC4=CC=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCNC(=O)C2=NC3=C(C=CC(=C3)C)C(=C2)OC4=CC=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C30H32N4O9/c1-3-42-30(41)34-13-11-33(12-14-34)27(36)22(29(39)40)9-10-31-26(35)24-17-25(21-8-7-18(2)15-23(21)32-24)43-20-6-4-5-19(16-20)28(37)38/h4-8,15-17,22H,3,9-14H2,1-2H3,(H,31,35)(H,37,38)(H,39,40)