[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H25NO3 MolecularWeight: 303.396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C18H25NO3/c1-14(2)15-7-9-16(10-8-15)18(21)22-13-17(20)19-11-5-3-4-6-12-19/h7-10,14H,3-6,11-13H2,1-2H3