1-[[4-[4-(4-carboxyphenyl)phenyl]phenyl]methyl]-3-dodecanoyl-indole-2-carboxylic acid

Systemtic Name: 1-[[4-[4-(4-carboxyphenyl)phenyl]phenyl]methyl]-3-dodecanoyl-indole-2-carboxylic acid Openeye Name: 1-[[4-[4-(4-carboxyphenyl)phenyl]phenyl]methyl]-3-dodecanoyl-indole-2-carboxylic acid CAS Name: 1-[[4-[4-(4-carboxyphenyl)phenyl]phenyl]methyl]-3-(1-oxododecyl)-2-indolecarboxylic acid IUPAC Name: 1-[[4-[4-(4-carboxyphenyl)phenyl]phenyl]methyl]-3-dodecanoylindole-2-carboxylic acid Traditional Name: 1-[4-[4-(4-carboxyphenyl)phenyl]benzyl]-3-lauroyl-indole-2-carboxylic acid Formula: C41H43NO5 MolecularWeight: 629.78382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CC3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CC3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C(=O)O)C(=O)O

InChI

InChI=1S/C41H43NO5/c1-2-3-4-5-6-7-8-9-10-15-37(43)38-35-13-11-12-14-36(35)42(39(38)41(46)47)28-29-16-18-30(19-17-29)31-20-22-32(23-21-31)33-24-26-34(27-25-33)40(44)45/h11-14,16-27H,2-10,15,28H2,1H3,(H,44,45)(H,46,47)