2-pyrrol-1-ylethyl N-(5-tert-butyl-2-oxidanyl-phenyl)carbamate

Systemtic Name: 2-pyrrol-1-ylethyl N-(5-tert-butyl-2-oxidanyl-phenyl)carbamate Openeye Name: 2-pyrrol-1-ylethyl N-(5-tert-butyl-2-hydroxy-phenyl)carbamate CAS Name: N-(5-tert-butyl-2-hydroxyphenyl)carbamic acid 2-(1-pyrrolyl)ethyl ester IUPAC Name: 2-pyrrol-1-ylethyl N-(5-tert-butyl-2-hydroxyphenyl)carbamate Traditional Name: N-(5-tert-butyl-2-hydroxy-phenyl)carbamic acid 2-pyrrol-1-ylethyl ester Formula: C17H22N2O3 MolecularWeight: 302.36818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)O)NC(=O)OCCN2C=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)O)NC(=O)OCCN2C=CC=C2

InChI

InChI=1S/C17H22N2O3/c1-17(2,3)13-6-7-15(20)14(12-13)18-16(21)22-11-10-19-8-4-5-9-19/h4-9,12,20H,10-11H2,1-3H3,(H,18,21)