(4-tert-butylphenyl)methyl 3-[(4-tert-butylphenyl)methylamino]-4-chloranyl-benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 3-[(4-tert-butylphenyl)methylamino]-4-chloranyl-benzoate Openeye Name: (4-tert-butylphenyl)methyl 3-[(4-tert-butylphenyl)methylamino]-4-chloro-benzoate CAS Name: 3-[(4-tert-butylphenyl)methylamino]-4-chlorobenzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-[(4-tert-butylphenyl)methylamino]-4-chlorobenzoate Traditional Name: 3-[(4-tert-butylbenzyl)amino]-4-chloro-benzoic acid (4-tert-butylbenzyl) ester Formula: C29H34ClNO2 MolecularWeight: 464.03876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)C(C)(C)C)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)C(C)(C)C)Cl

InChI

InChI=1S/C29H34ClNO2/c1-28(2,3)23-12-7-20(8-13-23)18-31-26-17-22(11-16-25(26)30)27(32)33-19-21-9-14-24(15-10-21)29(4,5)6/h7-17,31H,18-19H2,1-6H3