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

Systemtic Name: 4-[bis(2-chloroethyl)amino]-3-(furan-2-ylmethoxy)benzoic acid Openeye Name: 4-[bis(2-chloroethyl)amino]-3-(2-furylmethoxy)benzoic acid CAS Name: 4-[bis(2-chloroethyl)amino]-3-(2-furanylmethoxy)benzoic acid IUPAC Name: 4-[bis(2-chloroethyl)amino]-3-(furan-2-ylmethoxy)benzoic acid Traditional Name: 4-[bis(2-chloroethyl)amino]-3-(2-furfuryloxy)benzoic acid Formula: C16H17Cl2NO4 MolecularWeight: 358.21648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17Cl2NO4/c17-5-7-19(8-6-18)14-4-3-12(16(20)21)10-15(14)23-11-13-2-1-9-22-13/h1-4,9-10H,5-8,11H2,(H,20,21)