2-chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate

Systemtic Name: 2-chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate Openeye Name: 2-chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate CAS Name: 2-[[(1-azepanylamino)-oxomethyl]amino]benzoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 2-(azepan-1-ylcarbamoylamino)benzoate Traditional Name: 2-(azepan-1-ylcarbamoylamino)benzoic acid 2-chloroethyl ester Formula: C16H22ClN3O3 MolecularWeight: 339.81718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)NC(=O)NC2=CC=CC=C2C(=O)OCCCl

Isomeric SMILES

C1CCCN(CC1)NC(=O)NC2=CC=CC=C2C(=O)OCCCl

InChI

InChI=1S/C16H22ClN3O3/c17-9-12-23-15(21)13-7-3-4-8-14(13)18-16(22)19-20-10-5-1-2-6-11-20/h3-4,7-8H,1-2,5-6,9-12H2,(H2,18,19,22)