2-[2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]phenyl]ethanoic acid; hexane

Systemtic Name: 2-[2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]phenyl]ethanoic acid; hexane Openeye Name: 2-[2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]phenyl]acetic acid; hexane CAS Name: 2-[2-[[[1-(carboxymethyl)-4-imidazolyl]amino]-oxomethyl]phenyl]acetic acid; hexane IUPAC Name: 2-[2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]phenyl]acetic acid; hexane Traditional Name: 2-[2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]phenyl]acetic acid; n-hexane Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.C1=CC=C(C(=C1)CC(=O)O)C(=O)NC2=CN(C=N2)CC(=O)O

Isomeric SMILES

CCCCCC.C1=CC=C(C(=C1)CC(=O)O)C(=O)NC2=CN(C=N2)CC(=O)O

InChI

InChI=1S/C14H13N3O5.C6H14/c18-12(19)5-9-3-1-2-4-10(9)14(22)16-11-6-17(8-15-11)7-13(20)21;1-3-5-6-4-2/h1-4,6,8H,5,7H2,(H,16,22)(H,18,19)(H,20,21);3-6H2,1-2H3