propyl (1Z)-6-chloranyl-1-(2-cyclohexyl-2-oxidanylidene-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylate

Systemtic Name: propyl (1Z)-6-chloranyl-1-(2-cyclohexyl-2-oxidanylidene-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylate Openeye Name: propyl (1Z)-6-chloro-1-(2-cyclohexyl-2-oxo-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylate CAS Name: (1Z)-6-chloro-1-(2-cyclohexyl-2-oxoethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid propyl ester IUPAC Name: propyl (1Z)-6-chloro-1-(2-cyclohexyl-2-oxoethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylate Traditional Name: (1Z)-6-chloro-1-(2-cyclohexyl-2-keto-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid propyl ester Formula: C23H30ClNO3 MolecularWeight: 403.9422

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=C2CC(NC(=CC(=O)C3CCCCC3)C2=C1)(C)C)Cl

Isomeric SMILES

CCCOC(=O)C1=C(C=C2CC(N/C(=C\C(=O)C3CCCCC3)/C2=C1)(C)C)Cl

InChI

InChI=1S/C23H30ClNO3/c1-4-10-28-22(27)18-12-17-16(11-19(18)24)14-23(2,3)25-20(17)13-21(26)15-8-6-5-7-9-15/h11-13,15,25H,4-10,14H2,1-3H3/b20-13-