(phenylmethyl) 3-[(E)-3-[1-(phenylmethyl)piperidin-4-yl]prop-2-enoyl]indole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[(E)-3-[1-(phenylmethyl)piperidin-4-yl]prop-2-enoyl]indole-1-carboxylate Openeye Name: benzyl 3-[(E)-3-(1-benzyl-4-piperidyl)prop-2-enoyl]indole-1-carboxylate CAS Name: 3-[(E)-1-oxo-3-[1-(phenylmethyl)-4-piperidinyl]prop-2-enyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(E)-3-(1-benzylpiperidin-4-yl)prop-2-enoyl]indole-1-carboxylate Traditional Name: 3-[(E)-3-(1-benzyl-4-piperidyl)acryloyl]indole-1-carboxylic acid benzyl ester Formula: C31H30N2O3 MolecularWeight: 478.5815

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C=CC(=O)C2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1/C=C/C(=O)C2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H30N2O3/c34-30(16-15-24-17-19-32(20-18-24)21-25-9-3-1-4-10-25)28-22-33(29-14-8-7-13-27(28)29)31(35)36-23-26-11-5-2-6-12-26/h1-16,22,24H,17-21,23H2/b16-15+