4-[[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]amino]-2-methyl-4-oxidanylidene-2-phenyl-butanoic acid

Systemtic Name: 4-[[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]amino]-2-methyl-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: 4-[3-(1-cyclopropyltetrazol-5-yl)anilino]-2-methyl-4-oxo-2-phenyl-butanoic acid CAS Name: 4-[3-(1-cyclopropyl-5-tetrazolyl)anilino]-2-methyl-4-oxo-2-phenylbutanoic acid IUPAC Name: 4-[3-(1-cyclopropyltetrazol-5-yl)anilino]-2-methyl-4-oxo-2-phenylbutanoic acid Traditional Name: 4-[3-(1-cyclopropyltetrazol-5-yl)anilino]-4-keto-2-methyl-2-phenyl-butyric acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=CC(=C1)C2=NN=NN2C3CC3)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(CC(=O)NC1=CC=CC(=C1)C2=NN=NN2C3CC3)(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H21N5O3/c1-21(20(28)29,15-7-3-2-4-8-15)13-18(27)22-16-9-5-6-14(12-16)19-23-24-25-26(19)17-10-11-17/h2-9,12,17H,10-11,13H2,1H3,(H,22,27)(H,28,29)