[2-[(4R,5R)-3-indol-3-ylidene-5-(4-methoxyphenyl)-4-oxidanyl-pyrazolidin-1-yl]-2-oxidanylidene-ethyl] pentanoate

Systemtic Name: [2-[(4R,5R)-3-indol-3-ylidene-5-(4-methoxyphenyl)-4-oxidanyl-pyrazolidin-1-yl]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-[(4R,5R)-4-hydroxy-3-indol-3-ylidene-5-(4-methoxyphenyl)pyrazolidin-1-yl]-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-[(4R,5R)-4-hydroxy-3-(3-indolylidene)-5-(4-methoxyphenyl)-1-pyrazolidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(4R,5R)-4-hydroxy-3-indol-3-ylidene-5-(4-methoxyphenyl)pyrazolidin-1-yl]-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-[(4R,5R)-4-hydroxy-3-indol-3-ylidene-5-(4-methoxyphenyl)pyrazolidin-1-yl]-2-keto-ethyl] ester Formula: C25H27N3O5 MolecularWeight: 449.49898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(=O)N1C(C(C(=C2C=NC3=CC=CC=C32)N1)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCC(=O)OCC(=O)N1[C@@H]([C@H](C(=C2C=NC3=CC=CC=C32)N1)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H27N3O5/c1-3-4-9-22(30)33-15-21(29)28-24(16-10-12-17(32-2)13-11-16)25(31)23(27-28)19-14-26-20-8-6-5-7-18(19)20/h5-8,10-14,24-25,27,31H,3-4,9,15H2,1-2H3/t24-,25+/m1/s1