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

Systemtic Name: 3-[2-[[3-carboxy-4-(4-ethoxycarbonylpiperazin-1-yl)-4-oxidanylidene-butyl]carbamoyl]quinolin-4-yl]oxy-4-methyl-benzoic acid Openeye Name: 3-[[2-[[3-carboxy-4-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-butyl]carbamoyl]-4-quinolyl]oxy]-4-methyl-benzoic acid CAS Name: 3-[[2-[[[3-carboxy-4-(4-ethoxycarbonyl-1-piperazinyl)-4-oxobutyl]amino]-oxomethyl]-4-quinolinyl]oxy]-4-methylbenzoic acid IUPAC Name: 3-[2-[[3-carboxy-4-(4-ethoxycarbonylpiperazin-1-yl)-4-oxobutyl]carbamoyl]quinolin-4-yl]oxy-4-methylbenzoic acid Traditional Name: 3-[[2-[[3-(4-carbethoxypiperazine-1-carbonyl)-4-hydroxy-4-keto-butyl]carbamoyl]-4-quinolyl]oxy]-4-methyl-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=CC=CC=C3C(=C2)OC4=C(C=CC(=C4)C(=O)O)C)C(=O)O

Isomeric SMILES

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

InChI

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