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

Systemtic Name: methyl 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-oxo-4-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]butanoate CAS Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]butyric acid methyl ester Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-15-4-6-16(7-5-15)14-19-10-3-11-20(13-12-19)17(21)8-9-18(22)23-2/h4-7H,3,8-14H2,1-2H3