3-[[4-cyano-4-(3,4-dimethoxyphenyl)cyclohexyl]-methyl-amino]propyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate

Systemtic Name: 3-[[4-cyano-4-(3,4-dimethoxyphenyl)cyclohexyl]-methyl-amino]propyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate Openeye Name: 3-[[4-cyano-4-(3,4-dimethoxyphenyl)cyclohexyl]-methyl-amino]propyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 3-[[4-cyano-4-(3,4-dimethoxyphenyl)cyclohexyl]-methylamino]propyl ester IUPAC Name: 3-[[4-cyano-4-(3,4-dimethoxyphenyl)cyclohexyl]-methylamino]propyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid 3-[[4-cyano-4-(3,4-dimethoxyphenyl)cyclohexyl]-methyl-amino]propyl ester Formula: C36H38N2O6 MolecularWeight: 594.69672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCCN(C)C3CCC(CC3)(C#N)C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCCN(C)C3CCC(CC3)(C#N)C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5

InChI

InChI=1S/C36H38N2O6/c1-24-32(39)28-12-8-13-29(34(28)44-33(24)25-10-6-5-7-11-25)35(40)43-21-9-20-38(2)27-16-18-36(23-37,19-17-27)26-14-15-30(41-3)31(22-26)42-4/h5-8,10-15,22,27H,9,16-21H2,1-4H3