3-[bis(2-chloroethyl)amino]-4-propyl-benzoic acid

Systemtic Name: 3-[bis(2-chloroethyl)amino]-4-propyl-benzoic acid Openeye Name: 3-[bis(2-chloroethyl)amino]-4-propyl-benzoic acid CAS Name: 3-[bis(2-chloroethyl)amino]-4-propylbenzoic acid IUPAC Name: 3-[bis(2-chloroethyl)amino]-4-propylbenzoic acid Traditional Name: 3-[bis(2-chloroethyl)amino]-4-propyl-benzoic acid Formula: C14H19Cl2NO2 MolecularWeight: 304.21216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)C(=O)O)N(CCCl)CCCl

Isomeric SMILES

CCCC1=C(C=C(C=C1)C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C14H19Cl2NO2/c1-2-3-11-4-5-12(14(18)19)10-13(11)17(8-6-15)9-7-16/h4-5,10H,2-3,6-9H2,1H3,(H,18,19)