ethyl 2-[[(11E,14E)-icosa-11,14-dien-2-ynoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: ethyl 2-[[(11E,14E)-icosa-11,14-dien-2-ynoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: ethyl 2-[[(11E,14E)-icosa-11,14-dien-2-ynoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[(11E,14E)-1-oxoeicosa-11,14-dien-2-ynyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[(11E,14E)-icosa-11,14-dien-2-ynoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[(11E,14E)-eicosa-11,14-dien-2-ynoyl]amino]-3-(1H-indol-3-yl)propionic acid ethyl ester Formula: C33H46N2O3 MolecularWeight: 518.72994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC#CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC#CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC

InChI

InChI=1S/C33H46N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-32(36)35-31(33(37)38-4-2)26-28-27-34-30-24-22-21-23-29(28)30/h8-9,11-12,21-24,27,31,34H,3-7,10,13-19,26H2,1-2H3,(H,35,36)/b9-8+,12-11+