2-[5-[2-[4-(1-azanyl-2-butoxy-2-oxidanylidene-ethyl)phenyl]phenyl]-1,2,3,4-tetrazol-1-yl]-3-methyl-butanoic acid

Systemtic Name: 2-[5-[2-[4-(1-azanyl-2-butoxy-2-oxidanylidene-ethyl)phenyl]phenyl]-1,2,3,4-tetrazol-1-yl]-3-methyl-butanoic acid Openeye Name: 2-[5-[2-[4-(1-amino-2-butoxy-2-oxo-ethyl)phenyl]phenyl]tetrazol-1-yl]-3-methyl-butanoic acid CAS Name: 2-[5-[2-[4-(1-amino-2-butoxy-2-oxoethyl)phenyl]phenyl]-1-tetrazolyl]-3-methylbutanoic acid IUPAC Name: 2-[5-[2-[4-(1-amino-2-butoxy-2-oxoethyl)phenyl]phenyl]tetrazol-1-yl]-3-methylbutanoic acid Traditional Name: 2-[5-[2-[4-(1-amino-2-butoxy-2-keto-ethyl)phenyl]phenyl]tetrazol-1-yl]-3-methyl-butyric acid Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C1=CC=C(C=C1)C2=CC=CC=C2C3=NN=NN3C(C(C)C)C(=O)O)N

Isomeric SMILES

CCCCOC(=O)C(C1=CC=C(C=C1)C2=CC=CC=C2C3=NN=NN3C(C(C)C)C(=O)O)N

InChI

InChI=1S/C24H29N5O4/c1-4-5-14-33-24(32)20(25)17-12-10-16(11-13-17)18-8-6-7-9-19(18)22-26-27-28-29(22)21(15(2)3)23(30)31/h6-13,15,20-21H,4-5,14,25H2,1-3H3,(H,30,31)