2-[[3-(chloromethyl)phenyl]carbonylamino]-5-(dipropylamino)benzoic acid

Systemtic Name: 2-[[3-(chloromethyl)phenyl]carbonylamino]-5-(dipropylamino)benzoic acid Openeye Name: 2-[[3-(chloromethyl)benzoyl]amino]-5-(dipropylamino)benzoic acid CAS Name: 2-[[[3-(chloromethyl)phenyl]-oxomethyl]amino]-5-(dipropylamino)benzoic acid IUPAC Name: 2-[[3-(chloromethyl)benzoyl]amino]-5-(dipropylamino)benzoic acid Traditional Name: 2-[[3-(chloromethyl)benzoyl]amino]-5-(dipropylamino)benzoic acid Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)CCl)C(=O)O

Isomeric SMILES

CCCN(CCC)C1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)CCl)C(=O)O

InChI

InChI=1S/C21H25ClN2O3/c1-3-10-24(11-4-2)17-8-9-19(18(13-17)21(26)27)23-20(25)16-7-5-6-15(12-16)14-22/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,23,25)(H,26,27)