2-[tert-butyl-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-pyridin-3-yl-azaniumyl]ethanoate dihydrochloride

Systemtic Name: 2-[tert-butyl-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-pyridin-3-yl-azaniumyl]ethanoate dihydrochloride Openeye Name: 2-[tert-butyl-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-(3-pyridyl)ammonio]acetate dihydrochloride CAS Name: 2-[tert-butyl-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-(3-pyridinyl)ammonio]acetate dihydrochloride IUPAC Name: 2-[tert-butyl-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-pyridin-3-ylazaniumyl]acetate dihydrochloride Traditional Name: 2-[tert-butyl-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-(3-pyridyl)ammonio]acetate dihydrochloride Formula: C26H37Cl2N3O5 MolecularWeight: 542.49508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)[N+](CC(=O)[O-])(C2=CN=CC=C2)C(C)(C)C.Cl.Cl

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)[N+](CC(=O)[O-])(C2=CN=CC=C2)C(C)(C)C.Cl.Cl

InChI

InChI=1S/C26H35N3O5.2ClH/c1-6-34-25(33)22(15-14-20-11-8-7-9-12-20)28-19(2)24(32)29(18-23(30)31,26(3,4)5)21-13-10-16-27-17-21;;/h7-13,16-17,19,22,28H,6,14-15,18H2,1-5H3;2*1H