2-[4-[2-[[4-(4-methylphenyl)phenyl]carbonylamino]-3-oxidanylidene-3-(pentylamino)propyl]phenoxy]propanedioic acid

Systemtic Name: 2-[4-[2-[[4-(4-methylphenyl)phenyl]carbonylamino]-3-oxidanylidene-3-(pentylamino)propyl]phenoxy]propanedioic acid Openeye Name: 2-[4-[3-oxo-3-(pentylamino)-2-[[4-(p-tolyl)benzoyl]amino]propyl]phenoxy]propanedioic acid CAS Name: 2-[4-[2-[[[4-(4-methylphenyl)phenyl]-oxomethyl]amino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid IUPAC Name: 2-[4-[2-[[4-(4-methylphenyl)benzoyl]amino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid Traditional Name: 2-[4-[3-(amylamino)-3-keto-2-[[4-(p-tolyl)benzoyl]amino]propyl]phenoxy]malonic acid Formula: C31H34N2O7 MolecularWeight: 546.61086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC=C(C=C1)OC(C(=O)O)C(=O)O)NC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCNC(=O)C(CC1=CC=C(C=C1)OC(C(=O)O)C(=O)O)NC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C31H34N2O7/c1-3-4-5-18-32-29(35)26(19-21-8-16-25(17-9-21)40-27(30(36)37)31(38)39)33-28(34)24-14-12-23(13-15-24)22-10-6-20(2)7-11-22/h6-17,26-27H,3-5,18-19H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)(H,38,39)