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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCCN2C=C(C3=CC=CC=C32)C=CC(=O)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CCCN2C=C(C3=CC=CC=C32)/C=C/C(=O)O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4/c30-26(31)13-12-23-19-29(25-11-5-4-10-24(23)25)16-6-9-21-14-17-28(18-15-21)27(32)33-20-22-7-2-1-3-8-22/h1-5,7-8,10-13,19,21H,6,9,14-18,20H2,(H,30,31)/b13-12+