2-(2-methoxycarbonyl-1H-isoquinolin-1-yl)pent-4-enoic acid

Systemtic Name: 2-(2-methoxycarbonyl-1H-isoquinolin-1-yl)pent-4-enoic acid Openeye Name: 2-(2-methoxycarbonyl-1H-isoquinolin-1-yl)pent-4-enoic acid CAS Name: 2-(2-methoxycarbonyl-1H-isoquinolin-1-yl)-4-pentenoic acid IUPAC Name: 2-(2-methoxycarbonyl-1H-isoquinolin-1-yl)pent-4-enoic acid Traditional Name: 2-(2-carbomethoxy-1H-isoquinolin-1-yl)pent-4-enoic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C=CC2=CC=CC=C2C1C(CC=C)C(=O)O

Isomeric SMILES

COC(=O)N1C=CC2=CC=CC=C2C1C(CC=C)C(=O)O

InChI

InChI=1S/C16H17NO4/c1-3-6-13(15(18)19)14-12-8-5-4-7-11(12)9-10-17(14)16(20)21-2/h3-5,7-10,13-14H,1,6H2,2H3,(H,18,19)