4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-7-phenyl-heptanoic acid; methanamine

Systemtic Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-7-phenyl-heptanoic acid; methanamine Openeye Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-7-phenyl-heptanoic acid; methanamine CAS Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-7-phenylheptanoic acid; methanamine IUPAC Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-7-phenylheptanoic acid; methanamine Traditional Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-7-phenyl-enanthic acid; methylamine Formula: C24H32N2O3 MolecularWeight: 396.52248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)C(CCCC1=CC=CC=C1)(C#N)C2=CC(=CC=C2)OC.CN

Isomeric SMILES

CC(C)(CC(=O)O)C(CCCC1=CC=CC=C1)(C#N)C2=CC(=CC=C2)OC.CN

InChI

InChI=1S/C23H27NO3.CH5N/c1-22(2,16-21(25)26)23(17-24,19-12-7-13-20(15-19)27-3)14-8-11-18-9-5-4-6-10-18;1-2/h4-7,9-10,12-13,15H,8,11,14,16H2,1-3H3,(H,25,26);2H2,1H3