benzoic acid; N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

Systemtic Name: benzoic acid; N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine Openeye Name: benzoic acid; N-prop-2-ynylindan-1-amine CAS Name: benzoic acid; N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine IUPAC Name: benzoic acid; N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine Traditional Name: benzoic acid; indan-1-yl(propargyl)amine Formula: C19H19NO2 MolecularWeight: 293.35966

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1CCC2=CC=CC=C12.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C#CCNC1CCC2=CC=CC=C12.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H13N.C7H6O2/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;8-7(9)6-4-2-1-3-5-6/h1,3-6,12-13H,7-9H2;1-5H,(H,8,9)