methyl 4-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-28-22(27)19-8-10-20(11-9-19)23-21(26)17-25-13-5-12-24(14-15-25)16-18-6-3-2-4-7-18/h2-4,6-11H,5,12-17H2,1H3,(H,23,26)