methyl 3-[2-[[4-cyano-4-(3-methoxycarbonylphenyl)-5-methyl-hexyl]-methyl-amino]ethyl]benzoate

Systemtic Name: methyl 3-[2-[[4-cyano-4-(3-methoxycarbonylphenyl)-5-methyl-hexyl]-methyl-amino]ethyl]benzoate Openeye Name: methyl 3-[2-[[4-cyano-4-(3-methoxycarbonylphenyl)-5-methyl-hexyl]-methyl-amino]ethyl]benzoate CAS Name: 3-[2-[[4-cyano-4-(3-methoxycarbonylphenyl)-5-methylhexyl]-methylamino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[[4-cyano-4-(3-methoxycarbonylphenyl)-5-methylhexyl]-methylamino]ethyl]benzoate Traditional Name: 3-[2-[[4-(3-carbomethoxyphenyl)-4-cyano-5-methyl-hexyl]-methyl-amino]ethyl]benzoic acid methyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN(C)CCC1=CC=CC(=C1)C(=O)OC)(C#N)C2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC(C)C(CCCN(C)CCC1=CC=CC(=C1)C(=O)OC)(C#N)C2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C27H34N2O4/c1-20(2)27(19-28,24-12-7-11-23(18-24)26(31)33-5)14-8-15-29(3)16-13-21-9-6-10-22(17-21)25(30)32-4/h6-7,9-12,17-18,20H,8,13-16H2,1-5H3