2-[4-(isoquinolin-1-ylmethyl)phenyl]pent-4-ynoic acid

Systemtic Name: 2-[4-(isoquinolin-1-ylmethyl)phenyl]pent-4-ynoic acid Openeye Name: 2-[4-(1-isoquinolylmethyl)phenyl]pent-4-ynoic acid CAS Name: 2-[4-(1-isoquinolinylmethyl)phenyl]-4-pentynoic acid IUPAC Name: 2-[4-(isoquinolin-1-ylmethyl)phenyl]pent-4-ynoic acid Traditional Name: 2-[4-(1-isoquinolylmethyl)phenyl]pent-4-ynoic acid Formula: C21H17NO2 MolecularWeight: 315.36518

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C#CCC(C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C21H17NO2/c1-2-5-19(21(23)24)17-10-8-15(9-11-17)14-20-18-7-4-3-6-16(18)12-13-22-20/h1,3-4,6-13,19H,5,14H2,(H,23,24)