[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-oxidanyl-benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-oxidanyl-benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2(CCCC2)C#N)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2(CCCC2)C#N)O

InChI

InChI=1S/C16H18N2O4/c1-11-4-5-12(8-13(11)19)15(21)22-9-14(20)18-16(10-17)6-2-3-7-16/h4-5,8,19H,2-3,6-7,9H2,1H3,(H,18,20)