(E)-3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4,5-dimethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4,5-dimethoxy-phenyl]acrylic acid Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)N2CCCC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)N2CCCC3=CC=CC=C32)OC

InChI

InChI=1S/C20H21NO6S/c1-26-17-12-14(9-10-19(22)23)13-18(20(17)27-2)28(24,25)21-11-5-7-15-6-3-4-8-16(15)21/h3-4,6,8-10,12-13H,5,7,11H2,1-2H3,(H,22,23)/b10-9+