methyl 4-[[5-(tert-butylamino)-2-oxidanylidene-azepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[5-(tert-butylamino)-2-oxidanylidene-azepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[5-(tert-butylamino)-2-oxo-azepan-1-yl]methyl]benzoate CAS Name: 4-[[5-(tert-butylamino)-2-oxo-1-azepanyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(tert-butylamino)-2-oxoazepan-1-yl]methyl]benzoate Traditional Name: 4-[[5-(tert-butylamino)-2-keto-azepan-1-yl]methyl]benzoic acid methyl ester Formula: C19H28N2O3 MolecularWeight: 332.43722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1CCC(=O)N(CC1)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)NC1CCC(=O)N(CC1)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H28N2O3/c1-19(2,3)20-16-9-10-17(22)21(12-11-16)13-14-5-7-15(8-6-14)18(23)24-4/h5-8,16,20H,9-13H2,1-4H3