(phenylmethyl) 4-[bis(2-chloroethyl)amino]-3-(cyclopropylmethoxy)benzoate

Systemtic Name: (phenylmethyl) 4-[bis(2-chloroethyl)amino]-3-(cyclopropylmethoxy)benzoate Openeye Name: benzyl 4-[bis(2-chloroethyl)amino]-3-(cyclopropylmethoxy)benzoate CAS Name: 4-[bis(2-chloroethyl)amino]-3-(cyclopropylmethoxy)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[bis(2-chloroethyl)amino]-3-(cyclopropylmethoxy)benzoate Traditional Name: 4-[bis(2-chloroethyl)amino]-3-(cyclopropylmethoxy)benzoic acid benzyl ester Formula: C22H25Cl2NO3 MolecularWeight: 422.3448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3)N(CCCl)CCCl

Isomeric SMILES

C1CC1COC2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3)N(CCCl)CCCl

InChI

InChI=1S/C22H25Cl2NO3/c23-10-12-25(13-11-24)20-9-8-19(14-21(20)27-15-18-6-7-18)22(26)28-16-17-4-2-1-3-5-17/h1-5,8-9,14,18H,6-7,10-13,15-16H2