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

Systemtic Name: ethyl 4-[2-[1-[2-(azepan-1-yl)phenyl]ethylamino]-2-oxidanylidene-ethyl]benzoate Openeye Name: ethyl 4-[2-[1-[2-(azepan-1-yl)phenyl]ethylamino]-2-oxo-ethyl]benzoate CAS Name: 4-[2-[1-[2-(1-azepanyl)phenyl]ethylamino]-2-oxoethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[2-(azepan-1-yl)phenyl]ethylamino]-2-oxoethyl]benzoate Traditional Name: 4-[2-[1-[2-(azepan-1-yl)phenyl]ethylamino]-2-keto-ethyl]benzoic acid ethyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CC(=O)NC(C)C2=CC=CC=C2N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CC(=O)NC(C)C2=CC=CC=C2N3CCCCCC3

InChI

InChI=1S/C25H32N2O3/c1-3-30-25(29)21-14-12-20(13-15-21)18-24(28)26-19(2)22-10-6-7-11-23(22)27-16-8-4-5-9-17-27/h6-7,10-15,19H,3-5,8-9,16-18H2,1-2H3,(H,26,28)