5,6-dimethoxy-1-[2-[[1-(3-nitrooxypropoxy)-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 5,6-dimethoxy-1-[2-[[1-(3-nitrooxypropoxy)-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: 5,6-dimethoxy-1-[2-[[1-(3-nitrooxypropoxycarbonyl)-3-phenyl-propyl]amino]propanoyl]indoline-2-carboxylic acid CAS Name: 5,6-dimethoxy-1-[2-[[1-(3-nitrooxypropoxy)-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 5,6-dimethoxy-1-[2-[[1-(3-nitrooxypropoxy)-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3-dihydroindole-2-carboxylic acid Traditional Name: 5,6-dimethoxy-1-[2-[[1-(3-nitrooxypropoxycarbonyl)-3-phenyl-propyl]amino]propanoyl]indoline-2-carboxylic acid Formula: C27H33N3O10 MolecularWeight: 559.56502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(CC2=CC(=C(C=C21)OC)OC)C(=O)O)NC(CCC3=CC=CC=C3)C(=O)OCCCO[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1C(CC2=CC(=C(C=C21)OC)OC)C(=O)O)NC(CCC3=CC=CC=C3)C(=O)OCCCO[N+](=O)[O-]

InChI

InChI=1S/C27H33N3O10/c1-17(25(31)29-21-16-24(38-3)23(37-2)15-19(21)14-22(29)26(32)33)28-20(11-10-18-8-5-4-6-9-18)27(34)39-12-7-13-40-30(35)36/h4-6,8-9,15-17,20,22,28H,7,10-14H2,1-3H3,(H,32,33)