[2-(tert-butylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-propenoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]acrylic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C=CC1=CC=C(C=C1)N2CCCCCC2

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)/C=C/C1=CC=C(C=C1)N2CCCCCC2

InChI

InChI=1S/C21H30N2O3/c1-21(2,3)22-19(24)16-26-20(25)13-10-17-8-11-18(12-9-17)23-14-6-4-5-7-15-23/h8-13H,4-7,14-16H2,1-3H3,(H,22,24)/b13-10+