tert-butyl 3-[1-(3-methoxy-3-oxidanylidene-propyl)-3-(pyridin-3-ylmethyl)indol-5-yl]propanoate

Systemtic Name: tert-butyl 3-[1-(3-methoxy-3-oxidanylidene-propyl)-3-(pyridin-3-ylmethyl)indol-5-yl]propanoate Openeye Name: tert-butyl 3-[1-(3-methoxy-3-oxo-propyl)-3-(3-pyridylmethyl)indol-5-yl]propanoate CAS Name: 3-[1-(3-methoxy-3-oxopropyl)-3-(3-pyridinylmethyl)-5-indolyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-(3-methoxy-3-oxopropyl)-3-(pyridin-3-ylmethyl)indol-5-yl]propanoate Traditional Name: 3-[1-(3-keto-3-methoxy-propyl)-3-(3-pyridylmethyl)indol-5-yl]propionic acid tert-butyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=CC2=C(C=C1)N(C=C2CC3=CN=CC=C3)CCC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CC2=C(C=C1)N(C=C2CC3=CN=CC=C3)CCC(=O)OC

InChI

InChI=1S/C25H30N2O4/c1-25(2,3)31-24(29)10-8-18-7-9-22-21(15-18)20(14-19-6-5-12-26-16-19)17-27(22)13-11-23(28)30-4/h5-7,9,12,15-17H,8,10-11,13-14H2,1-4H3