2,3-bis(phenylcarbonyloxy)butanedioic acid; ethyl 2-azanyl-3-(1H-imidazol-2-yl)propanoate

Systemtic Name: 2,3-bis(phenylcarbonyloxy)butanedioic acid; ethyl 2-azanyl-3-(1H-imidazol-2-yl)propanoate Openeye Name: 2,3-dibenzoyloxybutanedioic acid; ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate CAS Name: 2-amino-3-(1H-imidazol-2-yl)propanoic acid ethyl ester; 2,3-dibenzoyloxybutanedioic acid IUPAC Name: 2,3-dibenzoyloxybutanedioic acid; ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate Traditional Name: 2-amino-3-(1H-imidazol-2-yl)propionic acid ethyl ester; 2,3-dibenzoyloxysuccinic acid Formula: C26H27N3O10 MolecularWeight: 541.50668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=NC=CN1)N.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCOC(=O)C(CC1=NC=CN1)N.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H14O8.C8H13N3O2/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;1-2-13-8(12)6(9)5-7-10-3-4-11-7/h1-10,13-14H,(H,19,20)(H,21,22);3-4,6H,2,5,9H2,1H3,(H,10,11)