[3-azanyl-1-(3,4-dichlorophenyl)butan-2-yl] 4-chloranyl-3-methyl-benzoate

Systemtic Name: [3-azanyl-1-(3,4-dichlorophenyl)butan-2-yl] 4-chloranyl-3-methyl-benzoate Openeye Name: [2-amino-1-[(3,4-dichlorophenyl)methyl]propyl] 4-chloro-3-methyl-benzoate CAS Name: 4-chloro-3-methylbenzoic acid [3-amino-1-(3,4-dichlorophenyl)butan-2-yl] ester IUPAC Name: [3-amino-1-(3,4-dichlorophenyl)butan-2-yl] 4-chloro-3-methylbenzoate Traditional Name: 4-chloro-3-methyl-benzoic acid [2-amino-1-(3,4-dichlorobenzyl)propyl] ester Formula: C18H18Cl3NO2 MolecularWeight: 386.70002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC(CC2=CC(=C(C=C2)Cl)Cl)C(C)N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC(CC2=CC(=C(C=C2)Cl)Cl)C(C)N)Cl

InChI

InChI=1S/C18H18Cl3NO2/c1-10-7-13(4-6-14(10)19)18(23)24-17(11(2)22)9-12-3-5-15(20)16(21)8-12/h3-8,11,17H,9,22H2,1-2H3