tert-butyl 2-[3-[2-(3-methoxy-4-oxidanyl-phenyl)ethanoylamino]phenyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[3-[2-(3-methoxy-4-oxidanyl-phenyl)ethanoylamino]phenyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[3-[[2-(4-hydroxy-3-methoxy-phenyl)acetyl]amino]phenyl]pyrrole-1-carboxylate CAS Name: 2-[3-[[2-(4-hydroxy-3-methoxyphenyl)-1-oxoethyl]amino]phenyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]pyrrole-1-carboxylate Traditional Name: 2-[3-(homovanilloylamino)phenyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC=C1C2=CC(=CC=C2)NC(=O)CC3=CC(=C(C=C3)O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC=C1C2=CC(=CC=C2)NC(=O)CC3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C24H26N2O5/c1-24(2,3)31-23(29)26-12-6-9-19(26)17-7-5-8-18(15-17)25-22(28)14-16-10-11-20(27)21(13-16)30-4/h5-13,15,27H,14H2,1-4H3,(H,25,28)