methyl 4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-7-oxidanyl-1H-indole-2-carboxylate

Systemtic Name: methyl 4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-7-oxidanyl-1H-indole-2-carboxylate Openeye Name: methyl 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-7-hydroxy-1H-indole-2-carboxylate CAS Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indole-2-carboxylate Traditional Name: 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-7-hydroxy-1H-indole-2-carboxylic acid methyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=C2C=C(NC2=C(C=C1)O)C(=O)OC)O

Isomeric SMILES

CC(C)(C)NCC(C1=C2C=C(NC2=C(C=C1)O)C(=O)OC)O

InChI

InChI=1S/C16H22N2O4/c1-16(2,3)17-8-13(20)9-5-6-12(19)14-10(9)7-11(18-14)15(21)22-4/h5-7,13,17-20H,8H2,1-4H3