O4-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester O1-ethyl ester Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NC1=CC=C(C=C1)N2CCCCCC2

InChI

InChI=1S/C20H26N2O5/c1-2-26-19(24)11-12-20(25)27-15-18(23)21-16-7-9-17(10-8-16)22-13-5-3-4-6-14-22/h7-12H,2-6,13-15H2,1H3,(H,21,23)/b12-11+