methyl 4-[[[2-azanyl-5-(azepan-1-ylcarbonyl)phenyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[2-azanyl-5-(azepan-1-ylcarbonyl)phenyl]amino]methyl]benzoate Openeye Name: methyl 4-[[2-amino-5-(azepane-1-carbonyl)anilino]methyl]benzoate CAS Name: 4-[[2-amino-5-[1-azepanyl(oxo)methyl]anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-amino-5-(azepane-1-carbonyl)anilino]methyl]benzoate Traditional Name: 4-[[2-amino-5-(azepane-1-carbonyl)anilino]methyl]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)CNC2=C(C=CC(=C2)C(=O)N3CCCCCC3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)C(=O)N3CCCCCC3)N

InChI

InChI=1S/C22H27N3O3/c1-28-22(27)17-8-6-16(7-9-17)15-24-20-14-18(10-11-19(20)23)21(26)25-12-4-2-3-5-13-25/h6-11,14,24H,2-5,12-13,15,23H2,1H3