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

Systemtic Name: ethyl 4-(azepan-1-yl)-3-[(4-chlorophenyl)carbamoylamino]benzoate Openeye Name: ethyl 4-(azepan-1-yl)-3-[(4-chlorophenyl)carbamoylamino]benzoate CAS Name: 4-(1-azepanyl)-3-[[(4-chloroanilino)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(azepan-1-yl)-3-[(4-chlorophenyl)carbamoylamino]benzoate Traditional Name: 4-(azepan-1-yl)-3-[(4-chlorophenyl)carbamoylamino]benzoic acid ethyl ester Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3/c1-2-29-21(27)16-7-12-20(26-13-5-3-4-6-14-26)19(15-16)25-22(28)24-18-10-8-17(23)9-11-18/h7-12,15H,2-6,13-14H2,1H3,(H2,24,25,28)