methyl 2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[2-(4-ethylanilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[2-(4-ethylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-ethylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-(4-ethylanilino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CN2CC3=CC=CC=C3CC2C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CN2CC3=CC=CC=C3CC2C(=O)OC

InChI

InChI=1S/C21H24N2O3/c1-3-15-8-10-18(11-9-15)22-20(24)14-23-13-17-7-5-4-6-16(17)12-19(23)21(25)26-2/h4-11,19H,3,12-14H2,1-2H3,(H,22,24)