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

Systemtic Name: 4-[bis(2-chloroethyl)amino]-3-butoxy-benzoic acid Openeye Name: 4-[bis(2-chloroethyl)amino]-3-butoxy-benzoic acid CAS Name: 4-[bis(2-chloroethyl)amino]-3-butoxybenzoic acid IUPAC Name: 4-[bis(2-chloroethyl)amino]-3-butoxybenzoic acid Traditional Name: 4-[bis(2-chloroethyl)amino]-3-butoxy-benzoic acid Formula: C15H21Cl2NO3 MolecularWeight: 334.23814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)O)N(CCCl)CCCl

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C15H21Cl2NO3/c1-2-3-10-21-14-11-12(15(19)20)4-5-13(14)18(8-6-16)9-7-17/h4-5,11H,2-3,6-10H2,1H3,(H,19,20)