2-(1-methoxy-1-oxidanylidene-propan-2-yl)-3-[4-[(3-methylphenyl)-phenyl-amino]phenyl]pentanoic acid

Systemtic Name: 2-(1-methoxy-1-oxidanylidene-propan-2-yl)-3-[4-[(3-methylphenyl)-phenyl-amino]phenyl]pentanoic acid Openeye Name: 2-(2-methoxy-1-methyl-2-oxo-ethyl)-3-[4-[N-(m-tolyl)anilino]phenyl]pentanoic acid CAS Name: 2-(1-methoxy-1-oxopropan-2-yl)-3-[4-(N-(3-methylphenyl)anilino)phenyl]pentanoic acid IUPAC Name: 2-(1-methoxy-1-oxopropan-2-yl)-3-[4-(N-(3-methylphenyl)anilino)phenyl]pentanoic acid Traditional Name: 2-(2-keto-2-methoxy-1-methyl-ethyl)-3-[4-[N-(m-tolyl)anilino]phenyl]valeric acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC(=C3)C)C(C(C)C(=O)OC)C(=O)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC(=C3)C)C(C(C)C(=O)OC)C(=O)O

InChI

InChI=1S/C28H31NO4/c1-5-25(26(27(30)31)20(3)28(32)33-4)21-14-16-23(17-15-21)29(22-11-7-6-8-12-22)24-13-9-10-19(2)18-24/h6-18,20,25-26H,5H2,1-4H3,(H,30,31)