2-decyl-5-ethoxycarbonyl-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: 2-decyl-5-ethoxycarbonyl-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: 2-decyl-5-ethoxycarbonyl-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 2-decyl-5-ethoxycarbonyl-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3-carboxylate IUPAC Name: 2-decyl-5-ethoxycarbonyl-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 5-carbethoxy-2-decyl-6-methyl-2-methylol-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3-carboxylate Formula: C27H39N2O7- MolecularWeight: 503.60776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1(C(C(C(=C(N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-])CO

Isomeric SMILES

CCCCCCCCCCC1(C(C(C(=C(N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-])CO

InChI

InChI=1S/C27H40N2O7/c1-4-6-7-8-9-10-11-12-16-27(18-30)24(25(31)32)23(20-14-13-15-21(17-20)29(34)35)22(19(3)28-27)26(33)36-5-2/h13-15,17,23-24,28,30H,4-12,16,18H2,1-3H3,(H,31,32)/p-1