6-[3-[2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1H-isoindol-1-yl]propanoylamino]pyridine-3-carboxylic acid

Systemtic Name: 6-[3-[2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1H-isoindol-1-yl]propanoylamino]pyridine-3-carboxylic acid Openeye Name: 6-[3-[2-[(4-methoxyphenyl)methyl]-3-oxo-isoindolin-1-yl]propanoylamino]pyridine-3-carboxylic acid CAS Name: 6-[[3-[2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindol-1-yl]-1-oxopropyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[3-[2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindol-1-yl]propanoylamino]pyridine-3-carboxylic acid Traditional Name: 6-[3-(3-keto-2-p-anisyl-isoindolin-1-yl)propanoylamino]nicotinic acid Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)CCC(=O)NC4=NC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)CCC(=O)NC4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H23N3O5/c1-33-18-9-6-16(7-10-18)15-28-21(19-4-2-3-5-20(19)24(28)30)11-13-23(29)27-22-12-8-17(14-26-22)25(31)32/h2-10,12,14,21H,11,13,15H2,1H3,(H,31,32)(H,26,27,29)