4-[3-[8-[4-(2-methylpropyl)phenyl]undecanoyl]indol-1-yl]butanoate

Systemtic Name: 4-[3-[8-[4-(2-methylpropyl)phenyl]undecanoyl]indol-1-yl]butanoate Openeye Name: 4-[3-[8-(4-isobutylphenyl)undecanoyl]indol-1-yl]butanoate CAS Name: 4-[3-[8-[4-(2-methylpropyl)phenyl]-1-oxoundecyl]-1-indolyl]butanoate IUPAC Name: 4-[3-[8-[4-(2-methylpropyl)phenyl]undecanoyl]indol-1-yl]butanoate Traditional Name: 4-[3-[8-(4-isobutylphenyl)undecanoyl]indol-1-yl]butyrate Formula: C33H44NO3- MolecularWeight: 502.70736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCCCCC(=O)C1=CN(C2=CC=CC=C21)CCCC(=O)[O-])C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CCCC(CCCCCCC(=O)C1=CN(C2=CC=CC=C21)CCCC(=O)[O-])C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C33H45NO3/c1-4-12-27(28-20-18-26(19-21-28)23-25(2)3)13-7-5-6-8-16-32(35)30-24-34(22-11-17-33(36)37)31-15-10-9-14-29(30)31/h9-10,14-15,18-21,24-25,27H,4-8,11-13,16-17,22-23H2,1-3H3,(H,36,37)/p-1