(3R)-5-oxidanylidene-5-(4-pyrrol-1-ylpiperidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pentanoic acid

Systemtic Name: (3R)-5-oxidanylidene-5-(4-pyrrol-1-ylpiperidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pentanoic acid Openeye Name: (3R)-5-oxo-5-(4-pyrrol-1-yl-1-piperidyl)-3-(3,4,5-trimethoxyphenyl)pentanoic acid CAS Name: (3R)-5-oxo-5-[4-(1-pyrrolyl)-1-piperidinyl]-3-(3,4,5-trimethoxyphenyl)pentanoic acid IUPAC Name: (3R)-5-oxo-5-(4-pyrrol-1-ylpiperidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pentanoic acid Traditional Name: (3R)-5-keto-5-(4-pyrrol-1-ylpiperidino)-3-(3,4,5-trimethoxyphenyl)valeric acid Formula: C23H30N2O6 MolecularWeight: 430.4941

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(CC(=O)N2CCC(CC2)N3C=CC=C3)CC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H](CC(=O)N2CCC(CC2)N3C=CC=C3)CC(=O)O

InChI

InChI=1S/C23H30N2O6/c1-29-19-12-16(13-20(30-2)23(19)31-3)17(15-22(27)28)14-21(26)25-10-6-18(7-11-25)24-8-4-5-9-24/h4-5,8-9,12-13,17-18H,6-7,10-11,14-15H2,1-3H3,(H,27,28)/t17-/m1/s1