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

Systemtic Name: 4-[bis(2-chloroethyl)amino]-3-(3-methylbut-2-enoxy)benzoic acid Openeye Name: 4-[bis(2-chloroethyl)amino]-3-(3-methylbut-2-enoxy)benzoic acid CAS Name: 4-[bis(2-chloroethyl)amino]-3-(3-methylbut-2-enoxy)benzoic acid IUPAC Name: 4-[bis(2-chloroethyl)amino]-3-(3-methylbut-2-enoxy)benzoic acid Traditional Name: 4-[bis(2-chloroethyl)amino]-3-(3-methylbut-2-enoxy)benzoic acid Formula: C16H21Cl2NO3 MolecularWeight: 346.24884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=C(C=CC(=C1)C(=O)O)N(CCCl)CCCl)C

Isomeric SMILES

CC(=CCOC1=C(C=CC(=C1)C(=O)O)N(CCCl)CCCl)C

InChI

InChI=1S/C16H21Cl2NO3/c1-12(2)5-10-22-15-11-13(16(20)21)3-4-14(15)19(8-6-17)9-7-18/h3-5,11H,6-10H2,1-2H3,(H,20,21)