ethyl 4-[(3S)-3-(azepan-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[(3S)-3-(azepan-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[(3S)-3-(azepan-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-3-(1-azepanyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(azepan-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-3-(azepan-1-yl)-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)N3CCCCCC3

InChI

InChI=1S/C19H24N2O4/c1-2-25-19(24)14-7-9-15(10-8-14)21-17(22)13-16(18(21)23)20-11-5-3-4-6-12-20/h7-10,16H,2-6,11-13H2,1H3/t16-/m0/s1