5-[5-[4-[(3-methoxyphenyl)-(4-prop-2-enylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrazol-1-yl]pentanoic acid

Systemtic Name: 5-[5-[4-[(3-methoxyphenyl)-(4-prop-2-enylpiperazin-1-yl)methyl]phenyl]-1,2,3,4-tetrazol-1-yl]pentanoic acid Openeye Name: 5-[5-[4-[(4-allylpiperazin-1-yl)-(3-methoxyphenyl)methyl]phenyl]tetrazol-1-yl]pentanoic acid CAS Name: 5-[5-[4-[(3-methoxyphenyl)-(4-prop-2-enyl-1-piperazinyl)methyl]phenyl]-1-tetrazolyl]pentanoic acid IUPAC Name: 5-[5-[4-[(3-methoxyphenyl)-(4-prop-2-enylpiperazin-1-yl)methyl]phenyl]tetrazol-1-yl]pentanoic acid Traditional Name: 5-[5-[4-[(4-allylpiperazino)-(3-methoxyphenyl)methyl]phenyl]tetrazol-1-yl]valeric acid Formula: C27H34N6O3 MolecularWeight: 490.59726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=CC=C(C=C2)C3=NN=NN3CCCCC(=O)O)N4CCN(CC4)CC=C

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC=C(C=C2)C3=NN=NN3CCCCC(=O)O)N4CCN(CC4)CC=C

InChI

InChI=1S/C27H34N6O3/c1-3-14-31-16-18-32(19-17-31)26(23-7-6-8-24(20-23)36-2)21-10-12-22(13-11-21)27-28-29-30-33(27)15-5-4-9-25(34)35/h3,6-8,10-13,20,26H,1,4-5,9,14-19H2,2H3,(H,34,35)