[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(1H-indazol-4-yloxy)propan-2-yl] benzoate

Systemtic Name: [1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(1H-indazol-4-yloxy)propan-2-yl] benzoate Openeye Name: [1-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-(1H-indazol-4-yloxy)ethyl] benzoate CAS Name: benzoic acid [1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(1H-indazol-4-yloxy)propan-2-yl] ester IUPAC Name: [1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(1H-indazol-4-yloxy)propan-2-yl] benzoate Traditional Name: benzoic acid [1-[(homoveratrylamino)methyl]-2-(1H-indazol-4-yloxy)ethyl] ester Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC3=C2C=NN3)OC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC3=C2C=NN3)OC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H29N3O5/c1-32-25-12-11-19(15-26(25)33-2)13-14-28-16-21(35-27(31)20-7-4-3-5-8-20)18-34-24-10-6-9-23-22(24)17-29-30-23/h3-12,15,17,21,28H,13-14,16,18H2,1-2H3,(H,29,30)