[4-(1-carboxypiperidin-4-yl)oxyphenyl]-ethoxycarbonyl-methyl-phenylmethoxycarbonyl-azanium

Systemtic Name: [4-(1-carboxypiperidin-4-yl)oxyphenyl]-ethoxycarbonyl-methyl-phenylmethoxycarbonyl-azanium Openeye Name: benzyloxycarbonyl-[4-[(1-carboxy-4-piperidyl)oxy]phenyl]-ethoxycarbonyl-methyl-ammonium CAS Name: [4-[(1-carboxy-4-piperidinyl)oxy]phenyl]-ethoxycarbonyl-methyl-phenylmethoxycarbonylammonium IUPAC Name: [4-(1-carboxypiperidin-4-yl)oxyphenyl]-ethoxycarbonyl-methyl-phenylmethoxycarbonylazanium Traditional Name: carbethoxy-carbobenzoxy-[4-[(1-carboxy-4-piperidyl)oxy]phenyl]-methyl-ammonium Formula: C24H29N2O7+ MolecularWeight: 457.49626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+](C)(C1=CC=C(C=C1)OC2CCN(CC2)C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[N+](C)(C1=CC=C(C=C1)OC2CCN(CC2)C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O7/c1-3-31-23(29)26(2,24(30)32-17-18-7-5-4-6-8-18)19-9-11-20(12-10-19)33-21-13-15-25(16-14-21)22(27)28/h4-12,21H,3,13-17H2,1-2H3/p+1