4-[3-[(E)-undec-2-enoyl]indol-1-yl]butanoic acid

Systemtic Name: 4-[3-[(E)-undec-2-enoyl]indol-1-yl]butanoic acid Openeye Name: 4-[3-[(E)-undec-2-enoyl]indol-1-yl]butanoic acid CAS Name: 4-[3-[(E)-1-oxoundec-2-enyl]-1-indolyl]butanoic acid IUPAC Name: 4-[3-[(E)-undec-2-enoyl]indol-1-yl]butanoic acid Traditional Name: 4-[3-[(E)-undec-2-enoyl]indol-1-yl]butyric acid Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC(=O)C1=CN(C2=CC=CC=C21)CCCC(=O)O

Isomeric SMILES

CCCCCCCC/C=C/C(=O)C1=CN(C2=CC=CC=C21)CCCC(=O)O

InChI

InChI=1S/C23H31NO3/c1-2-3-4-5-6-7-8-9-15-22(25)20-18-24(17-12-16-23(26)27)21-14-11-10-13-19(20)21/h9-11,13-15,18H,2-8,12,16-17H2,1H3,(H,26,27)/b15-9+