(E)-3-[2-chloranyl-1-(phenylmethyl)indol-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-chloranyl-1-(phenylmethyl)indol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-(1-benzyl-2-chloro-indol-3-yl)prop-2-enoic acid CAS Name: (E)-3-[2-chloro-1-(phenylmethyl)-3-indolyl]-2-propenoic acid IUPAC Name: (E)-3-(1-benzyl-2-chloroindol-3-yl)prop-2-enoic acid Traditional Name: (E)-3-(1-benzyl-2-chloro-indol-3-yl)acrylic acid Formula: C18H14ClNO2 MolecularWeight: 311.76226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2Cl)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2Cl)/C=C/C(=O)O

InChI

InChI=1S/C18H14ClNO2/c19-18-15(10-11-17(21)22)14-8-4-5-9-16(14)20(18)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,21,22)/b11-10+