6-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]-4-oxidanylidene-2-phenylazanyl-hexanoic acid

Systemtic Name: 6-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]-4-oxidanylidene-2-phenylazanyl-hexanoic acid Openeye Name: 2-anilino-6-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]-4-oxo-hexanoic acid CAS Name: 2-anilino-6-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-4-oxohexanoic acid IUPAC Name: 2-anilino-6-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-4-oxohexanoic acid Traditional Name: 2-anilino-6-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]-4-keto-hexanoic acid Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC(=CC=C2)O)CCC(=O)CC(C(=O)O)NC3=CC=CC=C3

Isomeric SMILES

CC1CN(CCC1(C)C2=CC(=CC=C2)O)CCC(=O)CC(C(=O)O)NC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O4/c1-18-17-27(14-12-25(18,2)19-7-6-10-21(28)15-19)13-11-22(29)16-23(24(30)31)26-20-8-4-3-5-9-20/h3-10,15,18,23,26,28H,11-14,16-17H2,1-2H3,(H,30,31)