(phenylmethyl) 3-[5-[3-(pyridin-2-ylamino)propoxy]indol-1-yl]propanoate

Systemtic Name: (phenylmethyl) 3-[5-[3-(pyridin-2-ylamino)propoxy]indol-1-yl]propanoate Openeye Name: benzyl 3-[5-[3-(2-pyridylamino)propoxy]indol-1-yl]propanoate CAS Name: 3-[5-[3-(2-pyridinylamino)propoxy]-1-indolyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[5-[3-(pyridin-2-ylamino)propoxy]indol-1-yl]propanoate Traditional Name: 3-[5-[3-(2-pyridylamino)propoxy]indol-1-yl]propionic acid benzyl ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCN2C=CC3=C2C=CC(=C3)OCCCNC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCN2C=CC3=C2C=CC(=C3)OCCCNC4=CC=CC=N4

InChI

InChI=1S/C26H27N3O3/c30-26(32-20-21-7-2-1-3-8-21)13-17-29-16-12-22-19-23(10-11-24(22)29)31-18-6-15-28-25-9-4-5-14-27-25/h1-5,7-12,14,16,19H,6,13,15,17-18,20H2,(H,27,28)