[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] (1S,2S)-2-methylcyclopropanecarboxylate CAS Name: (1S,2S)-2-methyl-1-cyclopropanecarboxylic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-methylcyclopropanecarboxylic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C19H26N2O3 MolecularWeight: 330.42134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

C[C@H]1C[C@@H]1C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C19H26N2O3/c1-14-12-17(14)19(23)24-13-18(22)20-15-6-8-16(9-7-15)21-10-4-2-3-5-11-21/h6-9,14,17H,2-5,10-13H2,1H3,(H,20,22)/t14-,17-/m0/s1