ethyl 4-[2-[1-[2-(azonan-1-yl)phenyl]ethylamino]-2-oxidanylidene-ethyl]benzoate

Systemtic Name: ethyl 4-[2-[1-[2-(azonan-1-yl)phenyl]ethylamino]-2-oxidanylidene-ethyl]benzoate Openeye Name: ethyl 4-[2-[1-[2-(azonan-1-yl)phenyl]ethylamino]-2-oxo-ethyl]benzoate CAS Name: 4-[2-[1-[2-(1-azonanyl)phenyl]ethylamino]-2-oxoethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[2-(azonan-1-yl)phenyl]ethylamino]-2-oxoethyl]benzoate Traditional Name: 4-[2-[1-[2-(azonan-1-yl)phenyl]ethylamino]-2-keto-ethyl]benzoic acid ethyl ester Formula: C27H36N2O3 MolecularWeight: 436.58634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CC(=O)NC(C)C2=CC=CC=C2N3CCCCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CC(=O)NC(C)C2=CC=CC=C2N3CCCCCCCC3

InChI

InChI=1S/C27H36N2O3/c1-3-32-27(31)23-16-14-22(15-17-23)20-26(30)28-21(2)24-12-8-9-13-25(24)29-18-10-6-4-5-7-11-19-29/h8-9,12-17,21H,3-7,10-11,18-20H2,1-2H3,(H,28,30)