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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19Cl2NO2/c1-10(2)12-4-3-11(14(18)19)9-13(12)17(7-5-15)8-6-16/h3-4,9-10H,5-8H2,1-2H3,(H,18,19)