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

Systemtic Name: (E)-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]prop-2-enoic acid CAS Name: (E)-3-[1-[2-(1-phenylmethoxycarbonyl-4-piperidinyl)ethyl]-3-indolyl]-2-propenoic acid IUPAC Name: (E)-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]acrylic acid Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCN2C=C(C3=CC=CC=C32)C=CC(=O)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CCN2C=C(C3=CC=CC=C32)/C=C/C(=O)O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O4/c29-25(30)11-10-22-18-28(24-9-5-4-8-23(22)24)17-14-20-12-15-27(16-13-20)26(31)32-19-21-6-2-1-3-7-21/h1-11,18,20H,12-17,19H2,(H,29,30)/b11-10+