ethyl 4-[6-[(3-methoxyphenyl)methoxy]-4-(2-methylpropyl)-3-oxidanylidene-1,4-diazepan-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[6-[(3-methoxyphenyl)methoxy]-4-(2-methylpropyl)-3-oxidanylidene-1,4-diazepan-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-isobutyl-6-[(3-methoxyphenyl)methoxy]-3-oxo-1,4-diazepan-1-yl]piperidine-1-carboxylate CAS Name: 4-[6-[(3-methoxyphenyl)methoxy]-4-(2-methylpropyl)-3-oxo-1,4-diazepan-1-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[(3-methoxyphenyl)methoxy]-4-(2-methylpropyl)-3-oxo-1,4-diazepan-1-yl]piperidine-1-carboxylate Traditional Name: 4-(4-isobutyl-3-keto-6-m-anisyloxy-1,4-diazepan-1-yl)piperidine-1-carboxylic acid ethyl ester Formula: C25H39N3O5 MolecularWeight: 461.59426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CC(CN(C(=O)C2)CC(C)C)OCC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CC(CN(C(=O)C2)CC(C)C)OCC3=CC(=CC=C3)OC

InChI

InChI=1S/C25H39N3O5/c1-5-32-25(30)26-11-9-21(10-12-26)27-15-23(16-28(14-19(2)3)24(29)17-27)33-18-20-7-6-8-22(13-20)31-4/h6-8,13,19,21,23H,5,9-12,14-18H2,1-4H3