methyl 4-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(3,4-dimethylbenzyl)-1,4-diazepan-1-yl]-4-keto-butyric acid methyl ester Formula: C19H28N2O3 MolecularWeight: 332.43722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCCN(CC2)C(=O)CCC(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CCCN(CC2)C(=O)CCC(=O)OC)C

InChI

InChI=1S/C19H28N2O3/c1-15-5-6-17(13-16(15)2)14-20-9-4-10-21(12-11-20)18(22)7-8-19(23)24-3/h5-6,13H,4,7-12,14H2,1-3H3