(2S)-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-N-(4-methoxyphenyl)-3-oxidanyl-propanamide

Systemtic Name: (2S)-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-N-(4-methoxyphenyl)-3-oxidanyl-propanamide Openeye Name: (2S)-3-hydroxy-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-N-(4-methoxyphenyl)propanamide CAS Name: (2S)-3-hydroxy-2-[[3-(1H-indol-3-yl)-1-oxoprop-2-enyl]amino]-N-(4-methoxyphenyl)propanamide IUPAC Name: (2S)-3-hydroxy-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-N-(4-methoxyphenyl)propanamide Traditional Name: (2S)-3-hydroxy-2-[[3-(1H-indol-3-yl)acryloyl]amino]-N-(4-methoxyphenyl)propionamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(CO)NC(=O)C=CC2=CNC3=CC=CC=C32

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)[C@H](CO)NC(=O)C=CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H21N3O4/c1-28-16-9-7-15(8-10-16)23-21(27)19(13-25)24-20(26)11-6-14-12-22-18-5-3-2-4-17(14)18/h2-12,19,22,25H,13H2,1H3,(H,23,27)(H,24,26)/t19-/m0/s1