2-[[1-[bis(4-hydroxyphenyl)methyl]-6-chloranyl-indol-3-yl]methyl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[[1-[bis(4-hydroxyphenyl)methyl]-6-chloranyl-indol-3-yl]methyl]cyclopropane-1-carboxylic acid Openeye Name: 2-[[1-[bis(4-hydroxyphenyl)methyl]-6-chloro-indol-3-yl]methyl]cyclopropanecarboxylic acid CAS Name: 2-[[1-[bis(4-hydroxyphenyl)methyl]-6-chloro-3-indolyl]methyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[[1-[bis(4-hydroxyphenyl)methyl]-6-chloroindol-3-yl]methyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[[1-[bis(4-hydroxyphenyl)methyl]-6-chloro-indol-3-yl]methyl]cyclopropanecarboxylic acid Formula: C26H22ClNO4 MolecularWeight: 447.91018

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)O)CC2=CN(C3=C2C=CC(=C3)Cl)C(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O

Isomeric SMILES

C1C(C1C(=O)O)CC2=CN(C3=C2C=CC(=C3)Cl)C(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O

InChI

InChI=1S/C26H22ClNO4/c27-19-5-10-22-18(11-17-12-23(17)26(31)32)14-28(24(22)13-19)25(15-1-6-20(29)7-2-15)16-3-8-21(30)9-4-16/h1-10,13-14,17,23,25,29-30H,11-12H2,(H,31,32)