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3,3-bis(5-butyl-1H-indol-3-yl)propanoic acid

3,3-bis(5-butyl-1H-indol-3-yl)propanoic acid

Systemtic Name:3,3-bis(5-butyl-1H-indol-3-yl)propanoic acid
Openeye Name:3,3-bis(5-butyl-1H-indol-3-yl)propanoic acid
CAS Name:3,3-bis(5-butyl-1H-indol-3-yl)propanoic acid
IUPAC Name:3,3-bis(5-butyl-1H-indol-3-yl)propanoic acid
Traditional Name:3,3-bis(5-butyl-1H-indol-3-yl)propionic acid
Formula: C27H32N2O2
MolecularWeight: 416.55518
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC=C2C(CC(=O)O)C3=CNC4=C3C=C(C=C4)CCCC


Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC=C2C(CC(=O)O)C3=CNC4=C3C=C(C=C4)CCCC


InChI

InChI=1S/C27H32N2O2/c1-3-5-7-18-9-11-25-21(13-18)23(16-28-25)20(15-27(30)31)24-17-29-26-12-10-19(8-6-4-2)14-22(24)26/h9-14,16-17,20,28-29H,3-8,15H2,1-2H3,(H,30,31)


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