tert-butyl 3-(4-oxidanylidene-1-phenylmethoxycarbonyl-2,3-dihydropyridin-2-yl)indole-1-carboxylate

Systemtic Name: tert-butyl 3-(4-oxidanylidene-1-phenylmethoxycarbonyl-2,3-dihydropyridin-2-yl)indole-1-carboxylate Openeye Name: tert-butyl 3-(1-benzyloxycarbonyl-4-oxo-2,3-dihydropyridin-2-yl)indole-1-carboxylate CAS Name: 3-(4-oxo-1-phenylmethoxycarbonyl-2,3-dihydropyridin-2-yl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-oxo-1-phenylmethoxycarbonyl-2,3-dihydropyridin-2-yl)indole-1-carboxylate Traditional Name: 3-(1-carbobenzoxy-4-keto-2,3-dihydropyridin-2-yl)indole-1-carboxylic acid tert-butyl ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3CC(=O)C=CN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3CC(=O)C=CN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O5/c1-26(2,3)33-25(31)28-16-21(20-11-7-8-12-22(20)28)23-15-19(29)13-14-27(23)24(30)32-17-18-9-5-4-6-10-18/h4-14,16,23H,15,17H2,1-3H3