[5-(4-tert-butylphenyl)-1-(phenylmethyl)indol-3-yl] 2-oxidanylideneethanoate

Systemtic Name: [5-(4-tert-butylphenyl)-1-(phenylmethyl)indol-3-yl] 2-oxidanylideneethanoate Openeye Name: [1-benzyl-5-(4-tert-butylphenyl)indol-3-yl] 2-oxoacetate CAS Name: 2-oxoacetic acid [5-(4-tert-butylphenyl)-1-(phenylmethyl)-3-indolyl] ester IUPAC Name: [1-benzyl-5-(4-tert-butylphenyl)indol-3-yl] 2-oxoacetate Traditional Name: 2-ketoacetic acid [1-benzyl-5-(4-tert-butylphenyl)indol-3-yl] ester Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C=C3OC(=O)C=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C=C3OC(=O)C=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H25NO3/c1-27(2,3)22-12-9-20(10-13-22)21-11-14-24-23(15-21)25(31-26(30)18-29)17-28(24)16-19-7-5-4-6-8-19/h4-15,17-18H,16H2,1-3H3