ethynyl 2-ethylbenzoate; isoquinoline

Systemtic Name: ethynyl 2-ethylbenzoate; isoquinoline Openeye Name: ethynyl 2-ethylbenzoate; isoquinoline CAS Name: 2-ethylbenzoic acid ethynyl ester; isoquinoline IUPAC Name: ethynyl 2-ethylbenzoate; isoquinoline Traditional Name: 2-ethylbenzoic acid ethynyl ester; isoquinoline Formula: C20H17NO2 MolecularWeight: 303.35448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)OC#C.C1=CC=C2C=NC=CC2=C1

Isomeric SMILES

CCC1=CC=CC=C1C(=O)OC#C.C1=CC=C2C=NC=CC2=C1

InChI

InChI=1S/C11H10O2.C9H7N/c1-3-9-7-5-6-8-10(9)11(12)13-4-2;1-2-4-9-7-10-6-5-8(9)3-1/h2,5-8H,3H2,1H3;1-7H