2-[(4-methoxyphenyl)methyl]-5-methyl-1-oxidanylidene-3-(phenylmethyl)-3H-isoindole-4-carboxylic acid

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-5-methyl-1-oxidanylidene-3-(phenylmethyl)-3H-isoindole-4-carboxylic acid Openeye Name: 3-benzyl-2-[(4-methoxyphenyl)methyl]-5-methyl-1-oxo-isoindoline-4-carboxylic acid CAS Name: 2-[(4-methoxyphenyl)methyl]-5-methyl-1-oxo-3-(phenylmethyl)-3H-isoindole-4-carboxylic acid IUPAC Name: 3-benzyl-2-[(4-methoxyphenyl)methyl]-5-methyl-1-oxo-3H-isoindole-4-carboxylic acid Traditional Name: 3-benzyl-1-keto-5-methyl-2-p-anisyl-isoindoline-4-carboxylic acid Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(C2CC3=CC=CC=C3)CC4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(C2CC3=CC=CC=C3)CC4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C25H23NO4/c1-16-8-13-20-23(22(16)25(28)29)21(14-17-6-4-3-5-7-17)26(24(20)27)15-18-9-11-19(30-2)12-10-18/h3-13,21H,14-15H2,1-2H3,(H,28,29)