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1,3-dicyclohexyl-2-phenyl-indole-5-carboxylic acid

1,3-dicyclohexyl-2-phenyl-indole-5-carboxylic acid

Systemtic Name:1,3-dicyclohexyl-2-phenyl-indole-5-carboxylic acid
Openeye Name:1,3-dicyclohexyl-2-phenyl-indole-5-carboxylic acid
CAS Name:1,3-dicyclohexyl-2-phenyl-5-indolecarboxylic acid
IUPAC Name:1,3-dicyclohexyl-2-phenylindole-5-carboxylic acid
Traditional Name:1,3-dicyclohexyl-2-phenyl-indole-5-carboxylic acid
Formula: C27H31NO2
MolecularWeight: 401.54054
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=C(C=C3)C(=O)O)C4CCCCC4)C5=CC=CC=C5


Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=C(C=C3)C(=O)O)C4CCCCC4)C5=CC=CC=C5


InChI

InChI=1S/C27H31NO2/c29-27(30)21-16-17-24-23(18-21)25(19-10-4-1-5-11-19)26(20-12-6-2-7-13-20)28(24)22-14-8-3-9-15-22/h2,6-7,12-13,16-19,22H,1,3-5,8-11,14-15H2,(H,29,30)


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