tert-butyl 4-[[3-azanyl-3-(2-chlorophenyl)-5-ethoxy-2-oxidanylidene-indol-1-yl]methyl]benzoate

Systemtic Name: tert-butyl 4-[[3-azanyl-3-(2-chlorophenyl)-5-ethoxy-2-oxidanylidene-indol-1-yl]methyl]benzoate Openeye Name: tert-butyl 4-[[3-amino-3-(2-chlorophenyl)-5-ethoxy-2-oxo-indolin-1-yl]methyl]benzoate CAS Name: 4-[[3-amino-3-(2-chlorophenyl)-5-ethoxy-2-oxo-1-indolyl]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-amino-3-(2-chlorophenyl)-5-ethoxy-2-oxoindol-1-yl]methyl]benzoate Traditional Name: 4-[[3-amino-3-(2-chlorophenyl)-5-ethoxy-2-keto-indolin-1-yl]methyl]benzoic acid tert-butyl ester Formula: C28H29ClN2O4 MolecularWeight: 492.99386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=O)C2(C3=CC=CC=C3Cl)N)CC4=CC=C(C=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=O)C2(C3=CC=CC=C3Cl)N)CC4=CC=C(C=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H29ClN2O4/c1-5-34-20-14-15-24-22(16-20)28(30,21-8-6-7-9-23(21)29)26(33)31(24)17-18-10-12-19(13-11-18)25(32)35-27(2,3)4/h6-16H,5,17,30H2,1-4H3