2-[2-(azepan-1-yl)ethoxymethyl]-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: 2-[2-(azepan-1-yl)ethoxymethyl]-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: 2-[2-(azepan-1-yl)ethoxymethyl]-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[2-(1-azepanyl)ethoxymethyl]-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate IUPAC Name: 2-[2-(azepan-1-yl)ethoxymethyl]-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[2-(azepan-1-yl)ethoxymethyl]-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Formula: C23H27ClN2O5-2 MolecularWeight: 446.92388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)COCCN2CCCCCC2)C(=O)[O-])C3=CC(=CC=C3)Cl)C(=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)COCCN2CCCCCC2)C(=O)[O-])C3=CC(=CC=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C23H29ClN2O5/c1-15-19(22(27)28)20(16-7-6-8-17(24)13-16)21(23(29)30)18(25-15)14-31-12-11-26-9-4-2-3-5-10-26/h6-8,13,20,25H,2-5,9-12,14H2,1H3,(H,27,28)(H,29,30)/p-2