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

Systemtic Name: methyl 4-[[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]amino]-3-methyl-benzoate Openeye Name: methyl 4-[[2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl]amino]-3-methyl-benzoic acid methyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C17H21N3O3/c1-12-9-13(16(22)23-2)5-6-14(12)19-10-15(21)20-17(11-18)7-3-4-8-17/h5-6,9,19H,3-4,7-8,10H2,1-2H3,(H,20,21)