4-[[3-[(4-dimethylaminophenyl)carbonylamino]-4-[(4-methoxyphenyl)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[(4-dimethylaminophenyl)carbonylamino]-4-[(4-methoxyphenyl)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[[4-(dimethylamino)benzoyl]amino]-4-[(4-methoxyphenyl)carbamoyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[3-[[(4-dimethylaminophenyl)-oxomethyl]amino]-4-[(4-methoxyanilino)-oxomethyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-[[4-(dimethylamino)benzoyl]amino]-4-[(4-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[3-[[4-(dimethylamino)benzoyl]amino]-4-[(4-methoxyphenyl)carbamoyl]anilino]-4-keto-butyric acid Formula: C27H28N4O6 MolecularWeight: 504.53442

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CCC(=O)O)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CCC(=O)O)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C27H28N4O6/c1-31(2)20-9-4-17(5-10-20)26(35)30-23-16-19(28-24(32)14-15-25(33)34)8-13-22(23)27(36)29-18-6-11-21(37-3)12-7-18/h4-13,16H,14-15H2,1-3H3,(H,28,32)(H,29,36)(H,30,35)(H,33,34)