methyl 2-[[4-(azepan-1-ylmethyl)phenyl]carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[4-(azepan-1-ylmethyl)phenyl]carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[4-(azepan-1-ylmethyl)benzoyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[4-(1-azepanylmethyl)phenyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[4-(azepan-1-ylmethyl)benzoyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[4-(azepan-1-ylmethyl)benzoyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)CN3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)CN3CCCCCC3)OC

InChI

InChI=1S/C24H30N2O5/c1-29-21-14-19(24(28)31-3)20(15-22(21)30-2)25-23(27)18-10-8-17(9-11-18)16-26-12-6-4-5-7-13-26/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H,25,27)