4-cyano-4-(3-methoxyphenyl)-2-methyl-7-phenyl-heptanoic acid; methanamine

Systemtic Name: 4-cyano-4-(3-methoxyphenyl)-2-methyl-7-phenyl-heptanoic acid; methanamine Openeye Name: 4-cyano-4-(3-methoxyphenyl)-2-methyl-7-phenyl-heptanoic acid; methanamine CAS Name: 4-cyano-4-(3-methoxyphenyl)-2-methyl-7-phenylheptanoic acid; methanamine IUPAC Name: 4-cyano-4-(3-methoxyphenyl)-2-methyl-7-phenylheptanoic acid; methanamine Traditional Name: 4-cyano-4-(3-methoxyphenyl)-2-methyl-7-phenyl-enanthic acid; methylamine Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3.CH5N/c1-17(21(24)25)15-22(16-23,19-11-6-12-20(14-19)26-2)13-7-10-18-8-4-3-5-9-18;1-2/h3-6,8-9,11-12,14,17H,7,10,13,15H2,1-2H3,(H,24,25);2H2,1H3