5-[bis(2-chloroethyl)amino]-3-(4-methoxy-3-methyl-phenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[bis(2-chloroethyl)amino]-3-(4-methoxy-3-methyl-phenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[bis(2-chloroethyl)amino]-3-(4-methoxy-3-methyl-phenyl)-5-oxo-pentanoic acid CAS Name: 5-[bis(2-chloroethyl)amino]-3-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid IUPAC Name: 5-[bis(2-chloroethyl)amino]-3-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid Traditional Name: 5-[bis(2-chloroethyl)amino]-5-keto-3-(4-methoxy-3-methyl-phenyl)valeric acid Formula: C17H23Cl2NO4 MolecularWeight: 376.27482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CC(=O)N(CCCl)CCCl)CC(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(CC(=O)N(CCCl)CCCl)CC(=O)O)OC

InChI

InChI=1S/C17H23Cl2NO4/c1-12-9-13(3-4-15(12)24-2)14(11-17(22)23)10-16(21)20(7-5-18)8-6-19/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,22,23)