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

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCC(=O)NC1=CC=C(C=C1)N2CCCCCC2

Isomeric SMILES

CC(C)CCC(=O)OCC(=O)NC1=CC=C(C=C1)N2CCCCCC2

InChI

InChI=1S/C20H30N2O3/c1-16(2)7-12-20(24)25-15-19(23)21-17-8-10-18(11-9-17)22-13-5-3-4-6-14-22/h8-11,16H,3-7,12-15H2,1-2H3,(H,21,23)