4-[[4-[3-(carboxymethyl)phenoxy]quinolin-2-yl]carbonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-butanoic acid

Systemtic Name: 4-[[4-[3-(carboxymethyl)phenoxy]quinolin-2-yl]carbonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-butanoic acid Openeye Name: 4-[[4-[3-(carboxymethyl)phenoxy]quinoline-2-carbonyl]amino]-2-(4-ethoxycarbonylpiperazine-1-carbonyl)butanoic acid CAS Name: 4-[[[4-[3-(carboxymethyl)phenoxy]-2-quinolinyl]-oxomethyl]amino]-2-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]butanoic acid IUPAC Name: 4-[[4-[3-(carboxymethyl)phenoxy]quinoline-2-carbonyl]amino]-2-(4-ethoxycarbonylpiperazine-1-carbonyl)butanoic acid Traditional Name: 2-(4-carbethoxypiperazine-1-carbonyl)-4-[[4-[3-(carboxymethyl)phenoxy]quinoline-2-carbonyl]amino]butyric 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=CC=CC(=C4)CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C30H32N4O9/c1-2-42-30(41)34-14-12-33(13-15-34)28(38)22(29(39)40)10-11-31-27(37)24-18-25(21-8-3-4-9-23(21)32-24)43-20-7-5-6-19(16-20)17-26(35)36/h3-9,16,18,22H,2,10-15,17H2,1H3,(H,31,37)(H,35,36)(H,39,40)