2,6-dimethyl-5-[3-nitro-4-[2-(3-phenoxypropylamino)ethoxy]phenoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-5-[3-nitro-4-[2-(3-phenoxypropylamino)ethoxy]phenoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-5-[3-nitro-4-[2-(3-phenoxypropylamino)ethoxy]phenoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-5-[[3-nitro-4-[2-(3-phenoxypropylamino)ethoxy]phenoxy]-oxomethyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-5-[3-nitro-4-[2-(3-phenoxypropylamino)ethoxy]phenoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2,6-dimethyl-5-[3-nitro-4-[2-(3-phenoxypropylamino)ethoxy]phenoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid Formula: C26H29N3O8 MolecularWeight: 511.52376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=C(N1)C)C(=O)OC2=CC(=C(C=C2)OCCNCCCOC3=CC=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(CC(=C(N1)C)C(=O)OC2=CC(=C(C=C2)OCCNCCCOC3=CC=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C26H29N3O8/c1-17-21(25(30)31)16-22(18(2)28-17)26(32)37-20-9-10-24(23(15-20)29(33)34)36-14-12-27-11-6-13-35-19-7-4-3-5-8-19/h3-5,7-10,15,27-28H,6,11-14,16H2,1-2H3,(H,30,31)