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

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Openeye Name: [(1R)-2-amino-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-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-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-amino-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3/c1-14(18(19)22)23-17(21)11-8-15-6-9-16(10-7-15)20-12-4-2-3-5-13-20/h6-11,14H,2-5,12-13H2,1H3,(H2,19,22)/b11-8+/t14-/m1/s1