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

Systemtic Name: 4-[bis(2-chloroethyl)amino]-2-(cyclobutylmethoxy)benzoic acid Openeye Name: 4-[bis(2-chloroethyl)amino]-2-(cyclobutylmethoxy)benzoic acid CAS Name: 4-[bis(2-chloroethyl)amino]-2-(cyclobutylmethoxy)benzoic acid IUPAC Name: 4-[bis(2-chloroethyl)amino]-2-(cyclobutylmethoxy)benzoic acid Traditional Name: 4-[bis(2-chloroethyl)amino]-2-(cyclobutylmethoxy)benzoic acid Formula: C16H21Cl2NO3 MolecularWeight: 346.24884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)COC2=C(C=CC(=C2)N(CCCl)CCCl)C(=O)O

Isomeric SMILES

C1CC(C1)COC2=C(C=CC(=C2)N(CCCl)CCCl)C(=O)O

InChI

InChI=1S/C16H21Cl2NO3/c17-6-8-19(9-7-18)13-4-5-14(16(20)21)15(10-13)22-11-12-2-1-3-12/h4-5,10,12H,1-3,6-9,11H2,(H,20,21)