3-[4-(3-ethoxycarbonyl-2,6-dimethyl-5-prop-2-ynoxycarbonyl-1,4-dihydropyridin-4-yl)phenyl]propanoic acid

Systemtic Name: 3-[4-(3-ethoxycarbonyl-2,6-dimethyl-5-prop-2-ynoxycarbonyl-1,4-dihydropyridin-4-yl)phenyl]propanoic acid Openeye Name: 3-[4-(3-ethoxycarbonyl-2,6-dimethyl-5-prop-2-ynoxycarbonyl-1,4-dihydropyridin-4-yl)phenyl]propanoic acid CAS Name: 3-[4-[3-ethoxycarbonyl-2,6-dimethyl-5-[oxo(prop-2-ynoxy)methyl]-1,4-dihydropyridin-4-yl]phenyl]propanoic acid IUPAC Name: 3-[4-(3-ethoxycarbonyl-2,6-dimethyl-5-prop-2-ynoxycarbonyl-1,4-dihydropyridin-4-yl)phenyl]propanoic acid Traditional Name: 3-[4-(3-carbethoxy-2,6-dimethyl-5-propargyloxycarbonyl-1,4-dihydropyridin-4-yl)phenyl]propionic acid Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)CCC(=O)O)C(=O)OCC#C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)CCC(=O)O)C(=O)OCC#C)C)C

InChI

InChI=1S/C23H25NO6/c1-5-13-30-23(28)20-15(4)24-14(3)19(22(27)29-6-2)21(20)17-10-7-16(8-11-17)9-12-18(25)26/h1,7-8,10-11,21,24H,6,9,12-13H2,2-4H3,(H,25,26)