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

Systemtic Name: 4-[5-[4-[(3-hydroxyphenyl)-[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl]-1,2,3,4-tetrazol-2-yl]butanoate Openeye Name: 4-[5-[4-[(4-benzylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]tetrazol-2-yl]butanoate CAS Name: 4-[5-[4-[(3-hydroxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]-2-tetrazolyl]butanoate IUPAC Name: 4-[5-[4-[(4-benzylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]tetrazol-2-yl]butanoate Traditional Name: 4-[5-[4-[(4-benzylpiperazino)-(3-hydroxyphenyl)methyl]phenyl]tetrazol-2-yl]butyrate Formula: C29H31N6O3- MolecularWeight: 511.59484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(C3=CC=C(C=C3)C4=NN(N=N4)CCCC(=O)[O-])C5=CC(=CC=C5)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(C3=CC=C(C=C3)C4=NN(N=N4)CCCC(=O)[O-])C5=CC(=CC=C5)O

InChI

InChI=1S/C29H32N6O3/c36-26-9-4-8-25(20-26)28(34-18-16-33(17-19-34)21-22-6-2-1-3-7-22)23-11-13-24(14-12-23)29-30-32-35(31-29)15-5-10-27(37)38/h1-4,6-9,11-14,20,28,36H,5,10,15-19,21H2,(H,37,38)/p-1