[4-[2-[2-chloroethyl(ethyl)amino]ethoxy]-2-methyl-5-propan-2-yl-phenyl] benzoate

Systemtic Name: [4-[2-[2-chloroethyl(ethyl)amino]ethoxy]-2-methyl-5-propan-2-yl-phenyl] benzoate Openeye Name: [4-[2-[2-chloroethyl(ethyl)amino]ethoxy]-5-isopropyl-2-methyl-phenyl] benzoate CAS Name: benzoic acid [4-[2-[2-chloroethyl(ethyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenyl] ester IUPAC Name: [4-[2-[2-chloroethyl(ethyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenyl] benzoate Traditional Name: benzoic acid [4-[2-[2-chloroethyl(ethyl)amino]ethoxy]-5-isopropyl-2-methyl-phenyl] ester Formula: C23H30ClNO3 MolecularWeight: 403.9422

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC1=C(C=C(C(=C1)C)OC(=O)C2=CC=CC=C2)C(C)C)CCCl

Isomeric SMILES

CCN(CCOC1=C(C=C(C(=C1)C)OC(=O)C2=CC=CC=C2)C(C)C)CCCl

InChI

InChI=1S/C23H30ClNO3/c1-5-25(12-11-24)13-14-27-22-15-18(4)21(16-20(22)17(2)3)28-23(26)19-9-7-6-8-10-19/h6-10,15-17H,5,11-14H2,1-4H3