ethyl 1-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[4-(1-azepanyl)anilino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-[4-(azepan-1-yl)anilino]-2-keto-ethyl]nipecotic acid ethyl ester Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H33N3O3/c1-2-28-22(27)18-8-7-13-24(16-18)17-21(26)23-19-9-11-20(12-10-19)25-14-5-3-4-6-15-25/h9-12,18H,2-8,13-17H2,1H3,(H,23,26)