[4-(dimethylamino)-2-(3-methoxyphenyl)-3-methyl-1-phenyl-butan-2-yl] propanoate; propanedioic acid

Systemtic Name: [4-(dimethylamino)-2-(3-methoxyphenyl)-3-methyl-1-phenyl-butan-2-yl] propanoate; propanedioic acid Openeye Name: [1-benzyl-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-propyl] propanoate; malonic acid CAS Name: propanedioic acid; propanoic acid [4-(dimethylamino)-2-(3-methoxyphenyl)-3-methyl-1-phenylbutan-2-yl] ester IUPAC Name: [4-(dimethylamino)-2-(3-methoxyphenyl)-3-methyl-1-phenylbutan-2-yl] propanoate; propanedioic acid Traditional Name: malonic acid; propionic acid [1-benzyl-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-propyl] ester Formula: C26H35NO7 MolecularWeight: 473.5586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CC1=CC=CC=C1)(C2=CC(=CC=C2)OC)C(C)CN(C)C.C(C(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)OC(CC1=CC=CC=C1)(C2=CC(=CC=C2)OC)C(C)CN(C)C.C(C(=O)O)C(=O)O

InChI

InChI=1S/C23H31NO3.C3H4O4/c1-6-22(25)27-23(18(2)17-24(3)4,16-19-11-8-7-9-12-19)20-13-10-14-21(15-20)26-5;4-2(5)1-3(6)7/h7-15,18H,6,16-17H2,1-5H3;1H2,(H,4,5)(H,6,7)