(3R)-N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3R)-N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-N-[2-[(4-ethylanilino)-oxomethyl]phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-keto-isochroman-3-carboxamide Formula: C25H22N2O4 MolecularWeight: 414.45318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)[C@H]3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C25H22N2O4/c1-2-16-11-13-18(14-12-16)26-23(28)20-9-5-6-10-21(20)27-24(29)22-15-17-7-3-4-8-19(17)25(30)31-22/h3-14,22H,2,15H2,1H3,(H,26,28)(H,27,29)/t22-/m1/s1