tert-butyl-(carboxymethyl)-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-pyridin-3-yl-azanium

Systemtic Name: tert-butyl-(carboxymethyl)-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-pyridin-3-yl-azanium Openeye Name: tert-butyl-(carboxymethyl)-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-(3-pyridyl)ammonium CAS Name: tert-butyl-(carboxymethyl)-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-(3-pyridinyl)ammonium IUPAC Name: tert-butyl-(carboxymethyl)-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-pyridin-3-ylazanium Traditional Name: tert-butyl-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-(carboxymethyl)-(3-pyridyl)ammonium Formula: C26H36N3O5+ MolecularWeight: 470.58114

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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

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

InChI

InChI=1S/C26H35N3O5/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/p+1