2-(carboxymethyloxy)-5-[3-oxidanylidene-3-(4-phenylbutylamino)-2-(quinolin-8-ylcarbonylamino)propyl]benzoic acid

Systemtic Name: 2-(carboxymethyloxy)-5-[3-oxidanylidene-3-(4-phenylbutylamino)-2-(quinolin-8-ylcarbonylamino)propyl]benzoic acid Openeye Name: 2-(carboxymethyloxy)-5-[3-oxo-3-(4-phenylbutylamino)-2-(quinoline-8-carbonylamino)propyl]benzoic acid CAS Name: 2-(carboxymethyloxy)-5-[3-oxo-2-[[oxo(8-quinolinyl)methyl]amino]-3-(4-phenylbutylamino)propyl]benzoic acid IUPAC Name: 2-(carboxymethyloxy)-5-[3-oxo-3-(4-phenylbutylamino)-2-(quinoline-8-carbonylamino)propyl]benzoic acid Traditional Name: 2-(carboxymethyloxy)-5-[3-keto-3-(4-phenylbutylamino)-2-(quinoline-8-carbonylamino)propyl]benzoic acid Formula: C32H31N3O7 MolecularWeight: 569.60444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)OCC(=O)O)C(=O)O)NC(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)OCC(=O)O)C(=O)O)NC(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C32H31N3O7/c36-28(37)20-42-27-15-14-22(18-25(27)32(40)41)19-26(31(39)34-16-5-4-10-21-8-2-1-3-9-21)35-30(38)24-13-6-11-23-12-7-17-33-29(23)24/h1-3,6-9,11-15,17-18,26H,4-5,10,16,19-20H2,(H,34,39)(H,35,38)(H,36,37)(H,40,41)