tert-butyl N-[2-[3-(pyridin-3-ylmethyl)-1H-indol-5-yl]ethyl]carbamate; methyl propanoate

Systemtic Name: tert-butyl N-[2-[3-(pyridin-3-ylmethyl)-1H-indol-5-yl]ethyl]carbamate; methyl propanoate Openeye Name: tert-butyl N-[2-[3-(3-pyridylmethyl)-1H-indol-5-yl]ethyl]carbamate; methyl propanoate CAS Name: propanoic acid methyl ester; N-[2-[3-(3-pyridinylmethyl)-1H-indol-5-yl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[3-(pyridin-3-ylmethyl)-1H-indol-5-yl]ethyl]carbamate; methyl propanoate Traditional Name: propionic acid methyl ester; N-[2-[3-(3-pyridylmethyl)-1H-indol-5-yl]ethyl]carbamic acid tert-butyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC.CC(C)(C)OC(=O)NCCC1=CC2=C(C=C1)NC=C2CC3=CN=CC=C3

Isomeric SMILES

CCC(=O)OC.CC(C)(C)OC(=O)NCCC1=CC2=C(C=C1)NC=C2CC3=CN=CC=C3

InChI

InChI=1S/C21H25N3O2.C4H8O2/c1-21(2,3)26-20(25)23-10-8-15-6-7-19-18(12-15)17(14-24-19)11-16-5-4-9-22-13-16;1-3-4(5)6-2/h4-7,9,12-14,24H,8,10-11H2,1-3H3,(H,23,25);3H2,1-2H3