O3-(2-heptoxyethyl) O5-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-(2-heptoxyethyl) O5-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-(2-heptoxyethyl) O5-isopropyl 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 O3-(2-heptoxyethyl) ester O5-propan-2-yl ester IUPAC Name: 3-O-(2-heptoxyethyl) 5-O-propan-2-yl 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 O3-(2-heptoxyethyl) ester O5-isopropyl ester Formula: C27H38N2O7 MolecularWeight: 502.59982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C)C)C

Isomeric SMILES

CCCCCCCOCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C)C)C

InChI

InChI=1S/C27H38N2O7/c1-6-7-8-9-10-14-34-15-16-35-26(30)23-19(4)28-20(5)24(27(31)36-18(2)3)25(23)21-12-11-13-22(17-21)29(32)33/h11-13,17-18,25,28H,6-10,14-16H2,1-5H3