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

Systemtic Name: [2-[(4S,5S)-3-indol-3-ylidene-5-(4-methoxyphenyl)-4-oxidanyl-pyrazolidin-1-yl]-2-oxidanylidene-ethyl] 3-cyclopentylpropanoate Openeye Name: [2-[(4S,5S)-4-hydroxy-3-indol-3-ylidene-5-(4-methoxyphenyl)pyrazolidin-1-yl]-2-oxo-ethyl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic acid [2-[(4S,5S)-4-hydroxy-3-(3-indolylidene)-5-(4-methoxyphenyl)-1-pyrazolidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(4S,5S)-4-hydroxy-3-indol-3-ylidene-5-(4-methoxyphenyl)pyrazolidin-1-yl]-2-oxoethyl] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [2-[(4S,5S)-4-hydroxy-3-indol-3-ylidene-5-(4-methoxyphenyl)pyrazolidin-1-yl]-2-keto-ethyl] ester Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=C3C=NC4=CC=CC=C43)NN2C(=O)COC(=O)CCC5CCCC5)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@@H](C(=C3C=NC4=CC=CC=C43)NN2C(=O)COC(=O)CCC5CCCC5)O

InChI

InChI=1S/C28H31N3O5/c1-35-20-13-11-19(12-14-20)27-28(34)26(22-16-29-23-9-5-4-8-21(22)23)30-31(27)24(32)17-36-25(33)15-10-18-6-2-3-7-18/h4-5,8-9,11-14,16,18,27-28,30,34H,2-3,6-7,10,15,17H2,1H3/t27-,28+/m0/s1