(E)-3-[1-[bis(2-methylphenyl)methyl]indol-5-yl]but-2-enoic acid

Systemtic Name: (E)-3-[1-[bis(2-methylphenyl)methyl]indol-5-yl]but-2-enoic acid Openeye Name: (E)-3-[1-(bis-o-tolylmethyl)indol-5-yl]but-2-enoic acid CAS Name: (E)-3-[1-[bis(2-methylphenyl)methyl]-5-indolyl]-2-butenoic acid IUPAC Name: (E)-3-[1-[bis(2-methylphenyl)methyl]indol-5-yl]but-2-enoic acid Traditional Name: (E)-3-[1-(bis-o-tolylmethyl)indol-5-yl]but-2-enoic acid Formula: C27H25NO2 MolecularWeight: 395.4929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2C)N3C=CC4=C3C=CC(=C4)C(=CC(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2C)N3C=CC4=C3C=CC(=C4)/C(=C/C(=O)O)/C

InChI

InChI=1S/C27H25NO2/c1-18-8-4-6-10-23(18)27(24-11-7-5-9-19(24)2)28-15-14-22-17-21(12-13-25(22)28)20(3)16-26(29)30/h4-17,27H,1-3H3,(H,29,30)/b20-16+