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

Systemtic Name: 4-[4-[bis(2-chloroethyl)amino]-3-methyl-phenoxy]benzoic acid Openeye Name: 4-[4-[bis(2-chloroethyl)amino]-3-methyl-phenoxy]benzoic acid CAS Name: 4-[4-[bis(2-chloroethyl)amino]-3-methylphenoxy]benzoic acid IUPAC Name: 4-[4-[bis(2-chloroethyl)amino]-3-methylphenoxy]benzoic acid Traditional Name: 4-[4-[bis(2-chloroethyl)amino]-3-methyl-phenoxy]benzoic acid Formula: C18H19Cl2NO3 MolecularWeight: 368.25436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC=C(C=C2)C(=O)O)N(CCCl)CCCl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC=C(C=C2)C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C18H19Cl2NO3/c1-13-12-16(6-7-17(13)21(10-8-19)11-9-20)24-15-4-2-14(3-5-15)18(22)23/h2-7,12H,8-11H2,1H3,(H,22,23)