ethyl 3-(diethoxymethyl)-2,2-diethoxy-6-[3-(methoxymethyl)quinolin-2-yl]-1-methylsulfonyl-3,4-dihydropyridine-4-carboxylate

Systemtic Name: ethyl 3-(diethoxymethyl)-2,2-diethoxy-6-[3-(methoxymethyl)quinolin-2-yl]-1-methylsulfonyl-3,4-dihydropyridine-4-carboxylate Openeye Name: ethyl 3-(diethoxymethyl)-2,2-diethoxy-6-[3-(methoxymethyl)-2-quinolyl]-1-methylsulfonyl-3,4-dihydropyridine-4-carboxylate CAS Name: 3-(diethoxymethyl)-2,2-diethoxy-6-[3-(methoxymethyl)-2-quinolinyl]-1-methylsulfonyl-3,4-dihydropyridine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(diethoxymethyl)-2,2-diethoxy-6-[3-(methoxymethyl)quinolin-2-yl]-1-methylsulfonyl-3,4-dihydropyridine-4-carboxylate Traditional Name: 3-(diethoxymethyl)-2,2-diethoxy-1-mesyl-6-[3-(methoxymethyl)-2-quinolyl]-3,4-dihydropyridine-4-carboxylic acid ethyl ester Formula: C29H42N2O9S MolecularWeight: 594.71678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1C(C=C(N(C1(OCC)OCC)S(=O)(=O)C)C2=NC3=CC=CC=C3C=C2COC)C(=O)OCC)OCC

Isomeric SMILES

CCOC(C1C(C=C(N(C1(OCC)OCC)S(=O)(=O)C)C2=NC3=CC=CC=C3C=C2COC)C(=O)OCC)OCC

InChI

InChI=1S/C29H42N2O9S/c1-8-36-27(32)22-18-24(26-21(19-35-6)17-20-15-13-14-16-23(20)30-26)31(41(7,33)34)29(39-11-4,40-12-5)25(22)28(37-9-2)38-10-3/h13-18,22,25,28H,8-12,19H2,1-7H3