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

Systemtic Name: 5-[bis(2-chloroethyl)amino]-3-(4-methoxy-2-methyl-5-propan-2-yl-phenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[bis(2-chloroethyl)amino]-3-(5-isopropyl-4-methoxy-2-methyl-phenyl)-5-oxo-pentanoic acid CAS Name: 5-[bis(2-chloroethyl)amino]-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5-oxopentanoic acid IUPAC Name: 5-[bis(2-chloroethyl)amino]-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5-oxopentanoic acid Traditional Name: 5-[bis(2-chloroethyl)amino]-3-(5-isopropyl-4-methoxy-2-methyl-phenyl)-5-keto-valeric acid Formula: C20H29Cl2NO4 MolecularWeight: 418.35456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(CC(=O)N(CCCl)CCCl)CC(=O)O)C(C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C(CC(=O)N(CCCl)CCCl)CC(=O)O)C(C)C)OC

InChI

InChI=1S/C20H29Cl2NO4/c1-13(2)16-12-17(14(3)9-18(16)27-4)15(11-20(25)26)10-19(24)23(7-5-21)8-6-22/h9,12-13,15H,5-8,10-11H2,1-4H3,(H,25,26)