5-[bis(2-chloroethyl)amino]-3-(4-methoxyphenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[bis(2-chloroethyl)amino]-3-(4-methoxyphenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[bis(2-chloroethyl)amino]-3-(4-methoxyphenyl)-5-oxo-pentanoic acid CAS Name: 5-[bis(2-chloroethyl)amino]-3-(4-methoxyphenyl)-5-oxopentanoic acid IUPAC Name: 5-[bis(2-chloroethyl)amino]-3-(4-methoxyphenyl)-5-oxopentanoic acid Traditional Name: 5-[bis(2-chloroethyl)amino]-5-keto-3-(4-methoxyphenyl)valeric acid Formula: C16H21Cl2NO4 MolecularWeight: 362.24824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)N(CCCl)CCCl)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)N(CCCl)CCCl)CC(=O)O

InChI

InChI=1S/C16H21Cl2NO4/c1-23-14-4-2-12(3-5-14)13(11-16(21)22)10-15(20)19(8-6-17)9-7-18/h2-5,13H,6-11H2,1H3,(H,21,22)