methyl (1Z)-3,3-dimethyl-1-phenacylidene-2,4-dihydroisoquinoline-7-carboxylate

Systemtic Name: methyl (1Z)-3,3-dimethyl-1-phenacylidene-2,4-dihydroisoquinoline-7-carboxylate Openeye Name: methyl (1Z)-3,3-dimethyl-1-phenacylidene-2,4-dihydroisoquinoline-7-carboxylate CAS Name: (1Z)-3,3-dimethyl-1-phenacylidene-2,4-dihydroisoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl (1Z)-3,3-dimethyl-1-phenacylidene-2,4-dihydroisoquinoline-7-carboxylate Traditional Name: (1Z)-3,3-dimethyl-1-phenacylidene-2,4-dihydroisoquinoline-7-carboxylic acid methyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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