4-[(E)-4-[5-chloranyl-3-(diphenylmethyl)-2-methyl-indol-1-yl]but-2-enoxy]benzoic acid

Systemtic Name: 4-[(E)-4-[5-chloranyl-3-(diphenylmethyl)-2-methyl-indol-1-yl]but-2-enoxy]benzoic acid Openeye Name: 4-[(E)-4-(3-benzhydryl-5-chloro-2-methyl-indol-1-yl)but-2-enoxy]benzoic acid CAS Name: 4-[(E)-4-[5-chloro-3-(diphenylmethyl)-2-methyl-1-indolyl]but-2-enoxy]benzoic acid IUPAC Name: 4-[(E)-4-(3-benzhydryl-5-chloro-2-methylindol-1-yl)but-2-enoxy]benzoic acid Traditional Name: 4-[(E)-4-(3-benzhydryl-5-chloro-2-methyl-indol-1-yl)but-2-enoxy]benzoic acid Formula: C33H28ClNO3 MolecularWeight: 522.03332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC=CCOC3=CC=C(C=C3)C(=O)O)C=CC(=C2)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(N1C/C=C/COC3=CC=C(C=C3)C(=O)O)C=CC(=C2)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H28ClNO3/c1-23-31(32(24-10-4-2-5-11-24)25-12-6-3-7-13-25)29-22-27(34)16-19-30(29)35(23)20-8-9-21-38-28-17-14-26(15-18-28)33(36)37/h2-19,22,32H,20-21H2,1H3,(H,36,37)/b9-8+