ethyl 3-[[3-(2-chloranylethanoylamino)-4-(methylamino)phenyl]carbonyl-propyl-amino]propanoate

Systemtic Name: ethyl 3-[[3-(2-chloranylethanoylamino)-4-(methylamino)phenyl]carbonyl-propyl-amino]propanoate Openeye Name: ethyl 3-[[3-[(2-chloroacetyl)amino]-4-(methylamino)benzoyl]-propyl-amino]propanoate CAS Name: 3-[[[3-[(2-chloro-1-oxoethyl)amino]-4-(methylamino)phenyl]-oxomethyl]-propylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[(2-chloroacetyl)amino]-4-(methylamino)benzoyl]-propylamino]propanoate Traditional Name: 3-[[3-[(2-chloroacetyl)amino]-4-(methylamino)benzoyl]-propyl-amino]propionic acid ethyl ester Formula: C18H26ClN3O4 MolecularWeight: 383.86974

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC(=O)OCC)C(=O)C1=CC(=C(C=C1)NC)NC(=O)CCl

Isomeric SMILES

CCCN(CCC(=O)OCC)C(=O)C1=CC(=C(C=C1)NC)NC(=O)CCl

InChI

InChI=1S/C18H26ClN3O4/c1-4-9-22(10-8-17(24)26-5-2)18(25)13-6-7-14(20-3)15(11-13)21-16(23)12-19/h6-7,11,20H,4-5,8-10,12H2,1-3H3,(H,21,23)