O5-(11-azanylundecyl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-(11-azanylundecyl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(11-aminoundecyl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(11-aminoundecyl) ester O3-methyl ester IUPAC Name: 5-O-(11-aminoundecyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(11-aminoundecyl) ester O3-methyl ester Formula: C27H39N3O6 MolecularWeight: 501.61506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCCCCCCCCCCN)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCCCCCCCCCCN)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C27H39N3O6/c1-19-23(26(31)35-3)25(21-14-13-15-22(18-21)30(33)34)24(20(2)29-19)27(32)36-17-12-10-8-6-4-5-7-9-11-16-28/h13-15,18,25,29H,4-12,16-17,28H2,1-3H3