(E)-2-methyl-3-[1-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)ethyl]indol-3-yl]prop-2-enoic acid

Systemtic Name: (E)-2-methyl-3-[1-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)ethyl]indol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-[2-(1-benzyloxycarbonyl-4-piperidyl)ethyl]indol-3-yl]-2-methyl-prop-2-enoic acid CAS Name: (E)-2-methyl-3-[1-[2-(1-phenylmethoxycarbonyl-4-piperidinyl)ethyl]-3-indolyl]-2-propenoic acid IUPAC Name: (E)-2-methyl-3-[1-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)ethyl]indol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-[2-(1-carbobenzoxy-4-piperidyl)ethyl]indol-3-yl]-2-methyl-acrylic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CN(C2=CC=CC=C21)CCC3CCN(CC3)C(=O)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C/C(=C\C1=CN(C2=CC=CC=C21)CCC3CCN(CC3)C(=O)OCC4=CC=CC=C4)/C(=O)O

InChI

InChI=1S/C27H30N2O4/c1-20(26(30)31)17-23-18-29(25-10-6-5-9-24(23)25)16-13-21-11-14-28(15-12-21)27(32)33-19-22-7-3-2-4-8-22/h2-10,17-18,21H,11-16,19H2,1H3,(H,30,31)/b20-17+