2-[bis(2-chloroethyl)amino]ethyl 2-(2,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-3-yl)ethanoate

Systemtic Name: 2-[bis(2-chloroethyl)amino]ethyl 2-(2,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-3-yl)ethanoate Openeye Name: 2-[bis(2-chloroethyl)amino]ethyl 2-(2,5,9-trimethyl-7-oxo-furo[3,2-g]chromen-3-yl)acetate CAS Name: 2-(2,5,9-trimethyl-7-oxo-3-furo[3,2-g][1]benzopyranyl)acetic acid 2-[bis(2-chloroethyl)amino]ethyl ester IUPAC Name: 2-[bis(2-chloroethyl)amino]ethyl 2-(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-3-yl)acetate Traditional Name: 2-(7-keto-2,5,9-trimethyl-furo[3,2-g]chromen-3-yl)acetic acid 2-[bis(2-chloroethyl)amino]ethyl ester Formula: C22H25Cl2NO5 MolecularWeight: 454.3436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CC(=O)OCCN(CCCl)CCCl)C

Isomeric SMILES

CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CC(=O)OCCN(CCCl)CCCl)C

InChI

InChI=1S/C22H25Cl2NO5/c1-13-10-20(27)30-21-14(2)22-18(11-16(13)21)17(15(3)29-22)12-19(26)28-9-8-25(6-4-23)7-5-24/h10-11H,4-9,12H2,1-3H3