[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] pentanoate

Systemtic Name: [3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] pentanoate Openeye Name: [3-(prop-2-ynylamino)indan-5-yl] pentanoate CAS Name: pentanoic acid [3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] ester IUPAC Name: [3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] pentanoate Traditional Name: valeric acid [3-(propargylamino)indan-5-yl] ester Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC2=C(CCC2NCC#C)C=C1

Isomeric SMILES

CCCCC(=O)OC1=CC2=C(CCC2NCC#C)C=C1

InChI

InChI=1S/C17H21NO2/c1-3-5-6-17(19)20-14-9-7-13-8-10-16(15(13)12-14)18-11-4-2/h2,7,9,12,16,18H,3,5-6,8,10-11H2,1H3