tert-butyl 3-(2-aminophenyl)-2-(3-oxidanylpropyl)-5-propan-2-yl-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 3-(2-aminophenyl)-2-(3-oxidanylpropyl)-5-propan-2-yl-pyrrole-1-carboxylate Openeye Name: tert-butyl 3-(2-aminophenyl)-2-(3-hydroxypropyl)-5-isopropyl-pyrrole-1-carboxylate CAS Name: 3-(2-aminophenyl)-2-(3-hydroxypropyl)-5-propan-2-yl-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-aminophenyl)-2-(3-hydroxypropyl)-5-propan-2-ylpyrrole-1-carboxylate Traditional Name: 3-(2-aminophenyl)-2-(3-hydroxypropyl)-5-isopropyl-pyrrole-1-carboxylic acid tert-butyl ester Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(N1C(=O)OC(C)(C)C)CCCO)C2=CC=CC=C2N

Isomeric SMILES

CC(C)C1=CC(=C(N1C(=O)OC(C)(C)C)CCCO)C2=CC=CC=C2N

InChI

InChI=1S/C21H30N2O3/c1-14(2)19-13-16(15-9-6-7-10-17(15)22)18(11-8-12-24)23(19)20(25)26-21(3,4)5/h6-7,9-10,13-14,24H,8,11-12,22H2,1-5H3