2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3,4-dihydropyrazole-3-carboxylic acid

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3,4-dihydropyrazole-3-carboxylic acid Openeye Name: 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-3,4-dihydropyrazole-3-carboxylic acid CAS Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-3,4-dihydropyrazole-3-carboxylic acid IUPAC Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-3,4-dihydropyrazole-3-carboxylic acid Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-2-pyrazoline-3-carboxylic acid Formula: C19H25N3O5 MolecularWeight: 375.4189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CC=N2)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CC=N2)C(=O)O

InChI

InChI=1S/C19H25N3O5/c1-3-27-19(26)15(10-9-14-7-5-4-6-8-14)21-13(2)17(23)22-16(18(24)25)11-12-20-22/h4-8,12-13,15-16,21H,3,9-11H2,1-2H3,(H,24,25)