2-(carboxymethyloxy)-5-[3-oxidanylidene-2-(2-phenoxypropanoylamino)-3-(4-phenylbutylamino)propyl]benzoic acid

Systemtic Name: 2-(carboxymethyloxy)-5-[3-oxidanylidene-2-(2-phenoxypropanoylamino)-3-(4-phenylbutylamino)propyl]benzoic acid Openeye Name: 2-(carboxymethyloxy)-5-[3-oxo-2-(2-phenoxypropanoylamino)-3-(4-phenylbutylamino)propyl]benzoic acid CAS Name: 2-(carboxymethyloxy)-5-[3-oxo-2-[(1-oxo-2-phenoxypropyl)amino]-3-(4-phenylbutylamino)propyl]benzoic acid IUPAC Name: 2-(carboxymethyloxy)-5-[3-oxo-2-(2-phenoxypropanoylamino)-3-(4-phenylbutylamino)propyl]benzoic acid Traditional Name: 2-(carboxymethyloxy)-5-[3-keto-2-(2-phenoxypropanoylamino)-3-(4-phenylbutylamino)propyl]benzoic acid Formula: C31H34N2O8 MolecularWeight: 562.61026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC(=C(C=C1)OCC(=O)O)C(=O)O)C(=O)NCCCCC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(CC1=CC(=C(C=C1)OCC(=O)O)C(=O)O)C(=O)NCCCCC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C31H34N2O8/c1-21(41-24-13-6-3-7-14-24)29(36)33-26(30(37)32-17-9-8-12-22-10-4-2-5-11-22)19-23-15-16-27(40-20-28(34)35)25(18-23)31(38)39/h2-7,10-11,13-16,18,21,26H,8-9,12,17,19-20H2,1H3,(H,32,37)(H,33,36)(H,34,35)(H,38,39)