2-[bis(phenylmethyl)amino]-4-(4-bromophenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[bis(phenylmethyl)amino]-4-(4-bromophenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-bromophenyl)-2-(dibenzylamino)-4-oxo-butanoic acid CAS Name: 2-[bis(phenylmethyl)amino]-4-(4-bromophenyl)-4-oxobutanoic acid IUPAC Name: 4-(4-bromophenyl)-2-(dibenzylamino)-4-oxobutanoic acid Traditional Name: 4-(4-bromophenyl)-2-(dibenzylamino)-4-keto-butyric acid Formula: C24H22BrNO3 MolecularWeight: 452.34038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(CC(=O)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(CC(=O)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C24H22BrNO3/c25-21-13-11-20(12-14-21)23(27)15-22(24(28)29)26(16-18-7-3-1-4-8-18)17-19-9-5-2-6-10-19/h1-14,22H,15-17H2,(H,28,29)