methyl 4-methyl-3-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-18-9-10-20(23(28)29-2)15-21(18)24-22(27)17-26-12-6-11-25(13-14-26)16-19-7-4-3-5-8-19/h3-5,7-10,15H,6,11-14,16-17H2,1-2H3,(H,24,27)