O1-tert-butyl O3-(phenylmethyl) 2-methyl-5-pyridin-3-yl-indole-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-(phenylmethyl) 2-methyl-5-pyridin-3-yl-indole-1,3-dicarboxylate Openeye Name: O3-benzyl O1-tert-butyl 2-methyl-5-(3-pyridyl)indole-1,3-dicarboxylate CAS Name: 2-methyl-5-(3-pyridinyl)indole-1,3-dicarboxylic acid O1-tert-butyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 1-O-tert-butyl 2-methyl-5-pyridin-3-ylindole-1,3-dicarboxylate Traditional Name: 2-methyl-5-(3-pyridyl)indole-1,3-dicarboxylic acid O3-benzyl ester O1-tert-butyl ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)C3=CN=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)C3=CN=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4/c1-18-24(25(30)32-17-19-9-6-5-7-10-19)22-15-20(21-11-8-14-28-16-21)12-13-23(22)29(18)26(31)33-27(2,3)4/h5-16H,17H2,1-4H3