1-(2-azanyl-1-morpholin-4-yl-2-oxidanylidene-ethyl)-3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(2-azanyl-1-morpholin-4-yl-2-oxidanylidene-ethyl)-3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)piperidine-4-carboxylic acid Openeye Name: 1-(2-amino-1-morpholino-2-oxo-ethyl)-3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)piperidine-4-carboxylic acid CAS Name: 1-[2-amino-1-(4-morpholinyl)-2-oxoethyl]-3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(2-amino-1-morpholin-4-yl-2-oxoethyl)-3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)piperidine-4-carboxylic acid Traditional Name: 1-(2-amino-2-keto-1-morpholino-ethyl)-3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)isonipecotic acid Formula: C26H31N3O7 MolecularWeight: 497.54024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CN(CC(C2C(=O)O)C3=CC4=C(C=C3)OCO4)C(C(=O)N)N5CCOCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2CN(CC(C2C(=O)O)C3=CC4=C(C=C3)OCO4)C(C(=O)N)N5CCOCC5

InChI

InChI=1S/C26H31N3O7/c1-33-18-5-2-16(3-6-18)19-13-29(25(24(27)30)28-8-10-34-11-9-28)14-20(23(19)26(31)32)17-4-7-21-22(12-17)36-15-35-21/h2-7,12,19-20,23,25H,8-11,13-15H2,1H3,(H2,27,30)(H,31,32)