[4-(2-chloranyl-3-methoxy-phenyl)-1-(methylamino)-3-phenyl-butyl] 2-phenylpropanoate

Systemtic Name: [4-(2-chloranyl-3-methoxy-phenyl)-1-(methylamino)-3-phenyl-butyl] 2-phenylpropanoate Openeye Name: [4-(2-chloro-3-methoxy-phenyl)-1-(methylamino)-3-phenyl-butyl] 2-phenylpropanoate CAS Name: 2-phenylpropanoic acid [4-(2-chloro-3-methoxyphenyl)-1-(methylamino)-3-phenylbutyl] ester IUPAC Name: [4-(2-chloro-3-methoxyphenyl)-1-(methylamino)-3-phenylbutyl] 2-phenylpropanoate Traditional Name: 2-phenylpropionic acid [4-(2-chloro-3-methoxy-phenyl)-1-(methylamino)-3-phenyl-butyl] ester Formula: C27H30ClNO3 MolecularWeight: 451.985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)OC(CC(CC2=C(C(=CC=C2)OC)Cl)C3=CC=CC=C3)NC

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)OC(CC(CC2=C(C(=CC=C2)OC)Cl)C3=CC=CC=C3)NC

InChI

InChI=1S/C27H30ClNO3/c1-19(20-11-6-4-7-12-20)27(30)32-25(29-2)18-23(21-13-8-5-9-14-21)17-22-15-10-16-24(31-3)26(22)28/h4-16,19,23,25,29H,17-18H2,1-3H3