tert-butyl 3-[1-(3-methoxy-3-oxidanylidene-propyl)-3-(pyridin-3-ylmethyl)indol-4-yl]propanoate

Systemtic Name: tert-butyl 3-[1-(3-methoxy-3-oxidanylidene-propyl)-3-(pyridin-3-ylmethyl)indol-4-yl]propanoate Openeye Name: tert-butyl 3-[1-(3-methoxy-3-oxo-propyl)-3-(3-pyridylmethyl)indol-4-yl]propanoate CAS Name: 3-[1-(3-methoxy-3-oxopropyl)-3-(3-pyridinylmethyl)-4-indolyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-(3-methoxy-3-oxopropyl)-3-(pyridin-3-ylmethyl)indol-4-yl]propanoate Traditional Name: 3-[1-(3-keto-3-methoxy-propyl)-3-(3-pyridylmethyl)indol-4-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=C2C(=CC=C1)N(C=C2CC3=CN=CC=C3)CCC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=C2C(=CC=C1)N(C=C2CC3=CN=CC=C3)CCC(=O)OC

InChI

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