(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 4-(1-methyl-1,2,3,4-tetrazol-5-yl)benzoate

Systemtic Name: (4-prop-1-en-2-ylcyclohexen-1-yl)methyl 4-(1-methyl-1,2,3,4-tetrazol-5-yl)benzoate Openeye Name: (4-isopropenylcyclohexen-1-yl)methyl 4-(1-methyltetrazol-5-yl)benzoate CAS Name: 4-(1-methyl-5-tetrazolyl)benzoic acid [4-(1-methylethenyl)-1-cyclohexenyl]methyl ester IUPAC Name: (4-prop-1-en-2-ylcyclohexen-1-yl)methyl 4-(1-methyltetrazol-5-yl)benzoate Traditional Name: 4-(1-methyltetrazol-5-yl)benzoic acid (4-isopropenylcyclohexen-1-yl)methyl ester Formula: C19H22N4O2 MolecularWeight: 338.40358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=CC1)COC(=O)C2=CC=C(C=C2)C3=NN=NN3C

Isomeric SMILES

CC(=C)C1CCC(=CC1)COC(=O)C2=CC=C(C=C2)C3=NN=NN3C

InChI

InChI=1S/C19H22N4O2/c1-13(2)15-6-4-14(5-7-15)12-25-19(24)17-10-8-16(9-11-17)18-20-21-22-23(18)3/h4,8-11,15H,1,5-7,12H2,2-3H3