[4-(naphthalen-1-ylamino)-4-oxidanylidene-butyl] 5-(hydroxymethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: [4-(naphthalen-1-ylamino)-4-oxidanylidene-butyl] 5-(hydroxymethyl)-1H-pyrrole-2-carboxylate Openeye Name: [4-(1-naphthylamino)-4-oxo-butyl] 5-(hydroxymethyl)-1H-pyrrole-2-carboxylate CAS Name: 5-(hydroxymethyl)-1H-pyrrole-2-carboxylic acid [4-(1-naphthalenylamino)-4-oxobutyl] ester IUPAC Name: [4-(naphthalen-1-ylamino)-4-oxobutyl] 5-(hydroxymethyl)-1H-pyrrole-2-carboxylate Traditional Name: 5-methylol-1H-pyrrole-2-carboxylic acid [4-keto-4-(1-naphthylamino)butyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)CCCOC(=O)C3=CC=C(N3)CO

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)CCCOC(=O)C3=CC=C(N3)CO

InChI

InChI=1S/C20H20N2O4/c23-13-15-10-11-18(21-15)20(25)26-12-4-9-19(24)22-17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,10-11,21,23H,4,9,12-13H2,(H,22,24)