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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3/c1-17(2)15-22-20(24)16-26-21(25)12-9-18-7-10-19(11-8-18)23-13-5-3-4-6-14-23/h7-12,17H,3-6,13-16H2,1-2H3,(H,22,24)/b12-9+