3-[4-[2-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenyl]butan-2-yl]oxyphenyl]-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 3-[4-[2-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenyl]butan-2-yl]oxyphenyl]-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid Openeye Name: 4-(benzylamino)-3-[4-[1,1-dimethyl-3-[4-(o-tolylcarbamoylamino)phenyl]propoxy]phenyl]-4-oxo-butanoic acid CAS Name: 3-[4-[2-methyl-4-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]butan-2-yl]oxyphenyl]-4-oxo-4-[(phenylmethyl)amino]butanoic acid IUPAC Name: 4-(benzylamino)-3-[4-[2-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenyl]butan-2-yl]oxyphenyl]-4-oxobutanoic acid Traditional Name: 4-(benzylamino)-3-[4-[1,1-dimethyl-3-[4-(o-tolylcarbamoylamino)phenyl]propoxy]phenyl]-4-keto-butyric acid Formula: C36H39N3O5 MolecularWeight: 593.71196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CCC(C)(C)OC3=CC=C(C=C3)C(CC(=O)O)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CCC(C)(C)OC3=CC=C(C=C3)C(CC(=O)O)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C36H39N3O5/c1-25-9-7-8-12-32(25)39-35(43)38-29-17-13-26(14-18-29)21-22-36(2,3)44-30-19-15-28(16-20-30)31(23-33(40)41)34(42)37-24-27-10-5-4-6-11-27/h4-20,31H,21-24H2,1-3H3,(H,37,42)(H,40,41)(H2,38,39,43)