2-[4-(diphenylmethyl)-1,4-diazepan-1-yl]ethyl 3-oxidanylidenebutanoate

Systemtic Name: 2-[4-(diphenylmethyl)-1,4-diazepan-1-yl]ethyl 3-oxidanylidenebutanoate Openeye Name: 2-(4-benzhydryl-1,4-diazepan-1-yl)ethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 2-[4-(diphenylmethyl)-1,4-diazepan-1-yl]ethyl ester IUPAC Name: 2-(4-benzhydryl-1,4-diazepan-1-yl)ethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 2-(4-benzhydryl-1,4-diazepan-1-yl)ethyl ester Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCN1CCCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CC(=O)OCCN1CCCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H30N2O3/c1-20(27)19-23(28)29-18-17-25-13-8-14-26(16-15-25)24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12,24H,8,13-19H2,1H3