N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-4-ethanoyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-4-ethanoyl-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC(=CN2)C(=O)C)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H](C)NC(=O)C2=CC(=CN2)C(=O)C)OCCC

InChI

InChI=1S/C21H28N2O4/c1-5-9-26-19-8-7-16(12-20(19)27-10-6-2)14(3)23-21(25)18-11-17(13-22-18)15(4)24/h7-8,11-14,22H,5-6,9-10H2,1-4H3,(H,23,25)/t14-/m0/s1