4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[[(3-methoxyphenyl)methylamino]-oxomethyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-(m-anisylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid Formula: C26H22N2O5 MolecularWeight: 442.46328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H22N2O5/c1-33-21-4-2-3-17(12-21)14-28-25(30)19-9-10-23-22(13-19)24(29)20(15-27-23)11-16-5-7-18(8-6-16)26(31)32/h2-10,12-13,15H,11,14H2,1H3,(H,27,29)(H,28,30)(H,31,32)