2-[(4-butoxyphenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[(4-butoxyphenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[(4-butoxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[(4-butoxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[(4-butoxybenzoyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C17H21N3O4/c1-2-3-8-24-14-6-4-12(5-7-14)16(21)20-15(17(22)23)9-13-10-18-11-19-13/h4-7,10-11,15H,2-3,8-9H2,1H3,(H,18,19)(H,20,21)(H,22,23)