[2-[1-[bis(2-chloroethyl)aminomethyl]-2,6-bis(oxidanylidene)piperidin-4-yl]-1-(3,5-dimethyl-2-oxidanylidene-cyclohexyl)ethyl] ethanoate

Systemtic Name: [2-[1-[bis(2-chloroethyl)aminomethyl]-2,6-bis(oxidanylidene)piperidin-4-yl]-1-(3,5-dimethyl-2-oxidanylidene-cyclohexyl)ethyl] ethanoate Openeye Name: [2-[1-[bis(2-chloroethyl)aminomethyl]-2,6-dioxo-4-piperidyl]-1-(3,5-dimethyl-2-oxo-cyclohexyl)ethyl] acetate CAS Name: acetic acid [2-[1-[bis(2-chloroethyl)aminomethyl]-2,6-dioxo-4-piperidinyl]-1-(3,5-dimethyl-2-oxocyclohexyl)ethyl] ester IUPAC Name: [2-[1-[bis(2-chloroethyl)aminomethyl]-2,6-dioxopiperidin-4-yl]-1-(3,5-dimethyl-2-oxocyclohexyl)ethyl] acetate Traditional Name: acetic acid [2-[1-[bis(2-chloroethyl)aminomethyl]-2,6-diketo-4-piperidyl]-1-(2-keto-3,5-dimethyl-cyclohexyl)ethyl] ester Formula: C22H34Cl2N2O5 MolecularWeight: 477.42176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C(C1)C(CC2CC(=O)N(C(=O)C2)CN(CCCl)CCCl)OC(=O)C)C

Isomeric SMILES

CC1CC(C(=O)C(C1)C(CC2CC(=O)N(C(=O)C2)CN(CCCl)CCCl)OC(=O)C)C

InChI

InChI=1S/C22H34Cl2N2O5/c1-14-8-15(2)22(30)18(9-14)19(31-16(3)27)10-17-11-20(28)26(21(29)12-17)13-25(6-4-23)7-5-24/h14-15,17-19H,4-13H2,1-3H3