methyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H22N2O3/c1-14-7-8-16(20(24)25-2)11-18(14)21-19(23)13-22-10-9-15-5-3-4-6-17(15)12-22/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,23)