tert-butyl 5-[(3Z)-4-aminocarbonyl-3-methyl-hexa-3,5-dien-1-ynyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-[(3Z)-4-aminocarbonyl-3-methyl-hexa-3,5-dien-1-ynyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-[(3Z)-4-carbamoyl-3-methyl-hexa-3,5-dien-1-ynyl]-3-(3-methoxy-3-oxo-propyl)-4-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-[(3Z)-4-carbamoyl-3-methylhexa-3,5-dien-1-ynyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(3Z)-4-carbamoyl-3-methylhexa-3,5-dien-1-ynyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[(3Z)-4-carbamoyl-3-methyl-hexa-3,5-dien-1-ynyl]-3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)OC)C(=O)OC(C)(C)C)C#CC(=C(C=C)C(=O)N)C

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)OC)C(=O)OC(C)(C)C)C#C/C(=C(/C=C)\C(=O)N)/C

InChI

InChI=1S/C22H28N2O5/c1-8-15(20(23)26)13(2)9-11-17-14(3)16(10-12-18(25)28-7)19(24-17)21(27)29-22(4,5)6/h8,24H,1,10,12H2,2-7H3,(H2,23,26)/b15-13-