heptadecyl 3-[bis(2-chloroethyl)amino]-4-methyl-benzoate

Systemtic Name: heptadecyl 3-[bis(2-chloroethyl)amino]-4-methyl-benzoate Openeye Name: heptadecyl 3-[bis(2-chloroethyl)amino]-4-methyl-benzoate CAS Name: 3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid heptadecyl ester IUPAC Name: heptadecyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate Traditional Name: 3-[bis(2-chloroethyl)amino]-4-methyl-benzoic acid heptadecyl ester Formula: C29H49Cl2NO2 MolecularWeight: 514.61086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H49Cl2NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-34-29(33)27-19-18-26(2)28(25-27)32(22-20-30)23-21-31/h18-19,25H,3-17,20-24H2,1-2H3