4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-[(3-methylphenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-[(3-methylphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-(m-tolylmethyl)-4-oxo-butanoic acid CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-[(3-methylphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-[(3-methylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-[homoveratryl(methyl)amino]-4-keto-3-(3-methylbenzyl)butyric acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(CC(=O)O)C(=O)N(C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)CC(CC(=O)O)C(=O)N(C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C23H29NO5/c1-16-6-5-7-18(12-16)13-19(15-22(25)26)23(27)24(2)11-10-17-8-9-20(28-3)21(14-17)29-4/h5-9,12,14,19H,10-11,13,15H2,1-4H3,(H,25,26)