ethyl 4-(azepan-1-yl)-3-[(3,4-dichlorophenyl)carbamoylamino]benzoate

Systemtic Name: ethyl 4-(azepan-1-yl)-3-[(3,4-dichlorophenyl)carbamoylamino]benzoate Openeye Name: ethyl 4-(azepan-1-yl)-3-[(3,4-dichlorophenyl)carbamoylamino]benzoate CAS Name: 4-(1-azepanyl)-3-[[(3,4-dichloroanilino)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(azepan-1-yl)-3-[(3,4-dichlorophenyl)carbamoylamino]benzoate Traditional Name: 4-(azepan-1-yl)-3-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid ethyl ester Formula: C22H25Cl2N3O3 MolecularWeight: 450.3582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCCCCC2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCCCCC2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H25Cl2N3O3/c1-2-30-21(28)15-7-10-20(27-11-5-3-4-6-12-27)19(13-15)26-22(29)25-16-8-9-17(23)18(24)14-16/h7-10,13-14H,2-6,11-12H2,1H3,(H2,25,26,29)