methyl (E)-3-[(1Z)-3,3-dimethyl-1-phenacylidene-2,4-dihydroisoquinolin-6-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[(1Z)-3,3-dimethyl-1-phenacylidene-2,4-dihydroisoquinolin-6-yl]prop-2-enoate Openeye Name: methyl (E)-3-[(1Z)-3,3-dimethyl-1-phenacylidene-2,4-dihydroisoquinolin-6-yl]prop-2-enoate CAS Name: (E)-3-[(1Z)-3,3-dimethyl-1-phenacylidene-2,4-dihydroisoquinolin-6-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[(1Z)-3,3-dimethyl-1-phenacylidene-2,4-dihydroisoquinolin-6-yl]prop-2-enoate Traditional Name: (E)-3-[(1Z)-3,3-dimethyl-1-phenacylidene-2,4-dihydroisoquinolin-6-yl]acrylic acid methyl ester Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO3/c1-23(2)15-18-13-16(10-12-22(26)27-3)9-11-19(18)20(24-23)14-21(25)17-7-5-4-6-8-17/h4-14,24H,15H2,1-3H3/b12-10+,20-14-