2-[bis(2-chloroethyl)aminomethyl]-4-methylidene-1,5-bis(4-propoxyphenyl)pentane-1,5-dione

Systemtic Name: 2-[bis(2-chloroethyl)aminomethyl]-4-methylidene-1,5-bis(4-propoxyphenyl)pentane-1,5-dione Openeye Name: 2-[bis(2-chloroethyl)aminomethyl]-4-methylene-1,5-bis(4-propoxyphenyl)pentane-1,5-dione CAS Name: 2-[bis(2-chloroethyl)aminomethyl]-4-methylene-1,5-bis(4-propoxyphenyl)pentane-1,5-dione IUPAC Name: 2-[bis(2-chloroethyl)aminomethyl]-4-methylidene-1,5-bis(4-propoxyphenyl)pentane-1,5-dione Traditional Name: 2-[bis(2-chloroethyl)aminomethyl]-4-methylene-1,5-bis(4-propoxyphenyl)pentane-1,5-dione Formula: C29H37Cl2NO4 MolecularWeight: 534.51438

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)C(CC(=C)C(=O)C2=CC=C(C=C2)OCCC)CN(CCCl)CCCl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)C(CC(=C)C(=O)C2=CC=C(C=C2)OCCC)CN(CCCl)CCCl

InChI

InChI=1S/C29H37Cl2NO4/c1-4-18-35-26-10-6-23(7-11-26)28(33)22(3)20-25(21-32(16-14-30)17-15-31)29(34)24-8-12-27(13-9-24)36-19-5-2/h6-13,25H,3-5,14-21H2,1-2H3