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

Systemtic Name: 5-[bis(2-chloroethyl)amino]-3-(4-ethoxy-2-methyl-5-propan-2-yl-phenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[bis(2-chloroethyl)amino]-3-(4-ethoxy-5-isopropyl-2-methyl-phenyl)-5-oxo-pentanoic acid CAS Name: 5-[bis(2-chloroethyl)amino]-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-5-oxopentanoic acid IUPAC Name: 5-[bis(2-chloroethyl)amino]-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-5-oxopentanoic acid Traditional Name: 5-[bis(2-chloroethyl)amino]-3-(4-ethoxy-5-isopropyl-2-methyl-phenyl)-5-keto-valeric acid Formula: C21H31Cl2NO4 MolecularWeight: 432.38114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31Cl2NO4/c1-5-28-19-10-15(4)18(13-17(19)14(2)3)16(12-21(26)27)11-20(25)24(8-6-22)9-7-23/h10,13-14,16H,5-9,11-12H2,1-4H3,(H,26,27)