[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-phenoxyethanoate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-phenoxyethanoate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4/c25-21(16-28-22(26)17-27-20-8-4-3-5-9-20)23-18-10-12-19(13-11-18)24-14-6-1-2-7-15-24/h3-5,8-13H,1-2,6-7,14-17H2,(H,23,25)