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

Systemtic Name: 4-[bis(2-chloroethyl)amino]-3-phenylmethoxy-benzoic acid Openeye Name: 3-benzyloxy-4-[bis(2-chloroethyl)amino]benzoic acid CAS Name: 4-[bis(2-chloroethyl)amino]-3-phenylmethoxybenzoic acid IUPAC Name: 4-[bis(2-chloroethyl)amino]-3-phenylmethoxybenzoic acid Traditional Name: 3-benzoxy-4-[bis(2-chloroethyl)amino]benzoic acid Formula: C18H19Cl2NO3 MolecularWeight: 368.25436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19Cl2NO3/c19-8-10-21(11-9-20)16-7-6-15(18(22)23)12-17(16)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,22,23)