[(1Z)-3-methyl-1-phenacylidene-2,4-dihydroisoquinolin-3-yl] cyclohexanecarboxylate

Systemtic Name: [(1Z)-3-methyl-1-phenacylidene-2,4-dihydroisoquinolin-3-yl] cyclohexanecarboxylate Openeye Name: [(1Z)-3-methyl-1-phenacylidene-2,4-dihydroisoquinolin-3-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [(1Z)-3-methyl-1-phenacylidene-2,4-dihydroisoquinolin-3-yl] ester IUPAC Name: [(1Z)-3-methyl-1-phenacylidene-2,4-dihydroisoquinolin-3-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [(1Z)-3-methyl-1-phenacylidene-2,4-dihydroisoquinolin-3-yl] ester Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=CC(=O)C3=CC=CC=C3)N1)OC(=O)C4CCCCC4

Isomeric SMILES

CC1(CC2=CC=CC=C2/C(=C/C(=O)C3=CC=CC=C3)/N1)OC(=O)C4CCCCC4

InChI

InChI=1S/C25H27NO3/c1-25(29-24(28)19-12-6-3-7-13-19)17-20-14-8-9-15-21(20)22(26-25)16-23(27)18-10-4-2-5-11-18/h2,4-5,8-11,14-16,19,26H,3,6-7,12-13,17H2,1H3/b22-16-