benzenesulfonic acid; O3-ethyl O5-methyl 2-(2-azanylethoxymethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: benzenesulfonic acid; O3-ethyl O5-methyl 2-(2-azanylethoxymethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: benzenesulfonic acid; O3-ethyl O5-methyl 2-(2-aminoethoxymethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(2-aminoethoxymethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester; benzenesulfonic acid IUPAC Name: benzenesulfonic acid; 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(2-aminoethoxymethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester; besylic acid Formula: C26H32N2O8S MolecularWeight: 532.60588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C20H26N2O5.C6H6O3S/c1-4-27-20(24)18-15(12-26-11-10-21)22-13(2)16(19(23)25-3)17(18)14-8-6-5-7-9-14;7-10(8,9)6-4-2-1-3-5-6/h5-9,17,22H,4,10-12,21H2,1-3H3;1-5H,(H,7,8,9)