methyl 3-(3-hydroxyphenyl)-3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propanoate

Systemtic Name: methyl 3-(3-hydroxyphenyl)-3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propanoate Openeye Name: methyl 3-(3-hydroxyphenyl)-3-[6-[3-(2-pyridylamino)propoxy]-1H-indol-3-yl]propanoate CAS Name: 3-(3-hydroxyphenyl)-3-[6-[3-(2-pyridinylamino)propoxy]-1H-indol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-(3-hydroxyphenyl)-3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propanoate Traditional Name: 3-(3-hydroxyphenyl)-3-[6-[3-(2-pyridylamino)propoxy]-1H-indol-3-yl]propionic acid methyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC(=CC=C1)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=CC=CC=N4

Isomeric SMILES

COC(=O)CC(C1=CC(=CC=C1)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=CC=CC=N4

InChI

InChI=1S/C26H27N3O4/c1-32-26(31)16-22(18-6-4-7-19(30)14-18)23-17-29-24-15-20(9-10-21(23)24)33-13-5-12-28-25-8-2-3-11-27-25/h2-4,6-11,14-15,17,22,29-30H,5,12-13,16H2,1H3,(H,27,28)