[2-acetamido-2-methyl-4-[1-methyl-5-(5-phenylpent-1-ynyl)pyrrol-2-yl]butyl] ethanoate

Systemtic Name: [2-acetamido-2-methyl-4-[1-methyl-5-(5-phenylpent-1-ynyl)pyrrol-2-yl]butyl] ethanoate Openeye Name: [2-acetamido-2-methyl-4-[1-methyl-5-(5-phenylpent-1-ynyl)pyrrol-2-yl]butyl] acetate CAS Name: acetic acid [2-acetamido-2-methyl-4-[1-methyl-5-(5-phenylpent-1-ynyl)-2-pyrrolyl]butyl] ester IUPAC Name: [2-acetamido-2-methyl-4-[1-methyl-5-(5-phenylpent-1-ynyl)pyrrol-2-yl]butyl] acetate Traditional Name: acetic acid [2-acetamido-2-methyl-4-[1-methyl-5-(5-phenylpent-1-ynyl)pyrrol-2-yl]butyl] ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C)(CCC1=CC=C(N1C)C#CCCCC2=CC=CC=C2)COC(=O)C

Isomeric SMILES

CC(=O)NC(C)(CCC1=CC=C(N1C)C#CCCCC2=CC=CC=C2)COC(=O)C

InChI

InChI=1S/C25H32N2O3/c1-20(28)26-25(3,19-30-21(2)29)18-17-24-16-15-23(27(24)4)14-10-6-9-13-22-11-7-5-8-12-22/h5,7-8,11-12,15-16H,6,9,13,17-19H2,1-4H3,(H,26,28)