methyl 6-tert-butyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate

Systemtic Name: methyl 6-tert-butyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate Openeye Name: methyl 6-tert-butyl-1-(4-pyridylmethyl)indole-2-carboxylate CAS Name: 6-tert-butyl-1-(pyridin-4-ylmethyl)-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate Traditional Name: 6-tert-butyl-1-(4-pyridylmethyl)indole-2-carboxylic acid methyl ester Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C=C(N2CC3=CC=NC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)C=C(N2CC3=CC=NC=C3)C(=O)OC

InChI

InChI=1S/C20H22N2O2/c1-20(2,3)16-6-5-15-11-18(19(23)24-4)22(17(15)12-16)13-14-7-9-21-10-8-14/h5-12H,13H2,1-4H3