4-[5-[4-[(3-hydroxyphenyl)-(4-prop-2-enylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrazol-2-yl]butanoate

Systemtic Name: 4-[5-[4-[(3-hydroxyphenyl)-(4-prop-2-enylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrazol-2-yl]butanoate Openeye Name: 4-[5-[4-[(4-allylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]tetrazol-2-yl]butanoate CAS Name: 4-[5-[4-[(3-hydroxyphenyl)-(4-prop-2-enyl-1-piperazinyl)methyl]phenyl]-2-tetrazolyl]butanoate IUPAC Name: 4-[5-[4-[(3-hydroxyphenyl)-(4-prop-2-enylpiperazin-1-yl)methyl]phenyl]tetrazol-2-yl]butanoate Traditional Name: 4-[5-[4-[(4-allylpiperazino)-(3-hydroxyphenyl)methyl]phenyl]tetrazol-2-yl]butyrate Formula: C25H29N6O3- MolecularWeight: 461.53616

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCN(CC1)C(C2=CC=C(C=C2)C3=NN(N=N3)CCCC(=O)[O-])C4=CC(=CC=C4)O

Isomeric SMILES

C=CCN1CCN(CC1)C(C2=CC=C(C=C2)C3=NN(N=N3)CCCC(=O)[O-])C4=CC(=CC=C4)O

InChI

InChI=1S/C25H30N6O3/c1-2-12-29-14-16-30(17-15-29)24(21-5-3-6-22(32)18-21)19-8-10-20(11-9-19)25-26-28-31(27-25)13-4-7-23(33)34/h2-3,5-6,8-11,18,24,32H,1,4,7,12-17H2,(H,33,34)/p-1