[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-propenoic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]acrylic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C=CC1=CC=C(C=C1)N2CCCCCC2

Isomeric SMILES

C[C@H](C(=O)NCC=C)OC(=O)/C=C/C1=CC=C(C=C1)N2CCCCCC2

InChI

InChI=1S/C21H28N2O3/c1-3-14-22-21(25)17(2)26-20(24)13-10-18-8-11-19(12-9-18)23-15-6-4-5-7-16-23/h3,8-13,17H,1,4-7,14-16H2,2H3,(H,22,25)/b13-10+/t17-/m1/s1