methyl 3-[[4-(azepan-1-ylmethyl)phenyl]carbonylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[[4-(azepan-1-ylmethyl)phenyl]carbonylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[4-(azepan-1-ylmethyl)benzoyl]amino]-4-chloro-benzoate CAS Name: 3-[[[4-(1-azepanylmethyl)phenyl]-oxomethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(azepan-1-ylmethyl)benzoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[4-(azepan-1-ylmethyl)benzoyl]amino]-4-chloro-benzoic acid methyl ester Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)CN3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)CN3CCCCCC3

InChI

InChI=1S/C22H25ClN2O3/c1-28-22(27)18-10-11-19(23)20(14-18)24-21(26)17-8-6-16(7-9-17)15-25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13,15H2,1H3,(H,24,26)