[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-(2-naphthylamino)-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [2-(2-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-keto-2-(2-naphthylamino)ethyl] ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C25H22N2O3/c1-17-7-8-18(2)27(17)23-13-10-20(11-14-23)25(29)30-16-24(28)26-22-12-9-19-5-3-4-6-21(19)15-22/h3-15H,16H2,1-2H3,(H,26,28)