methyl 3-[(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanoyl]benzoate

Systemtic Name: methyl 3-[(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanoyl]benzoate Openeye Name: methyl 3-[(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzoate CAS Name: 3-[(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzoate Traditional Name: 3-[(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzoic acid methyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=CC(=O)C3=CC(=CC=C3)C(=O)OC)N1)C

Isomeric SMILES

CC1(CC2=CC=CC=C2/C(=C/C(=O)C3=CC(=CC=C3)C(=O)OC)/N1)C

InChI

InChI=1S/C21H21NO3/c1-21(2)13-16-7-4-5-10-17(16)18(22-21)12-19(23)14-8-6-9-15(11-14)20(24)25-3/h4-12,22H,13H2,1-3H3/b18-12-