2-ethenyl-1-[(4-isoquinolin-1-yloxypyrrolidin-2-yl)carbonylamino]cyclopropane-1-carboxylic acid

Systemtic Name: 2-ethenyl-1-[(4-isoquinolin-1-yloxypyrrolidin-2-yl)carbonylamino]cyclopropane-1-carboxylic acid Openeye Name: 1-[[4-(1-isoquinolyloxy)pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid CAS Name: 2-ethenyl-1-[[[4-(1-isoquinolinyloxy)-2-pyrrolidinyl]-oxomethyl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: 2-ethenyl-1-[(4-isoquinolin-1-yloxypyrrolidine-2-carbonyl)amino]cyclopropane-1-carboxylic acid Traditional Name: 1-[[4-(1-isoquinolyloxy)prolyl]amino]-2-vinyl-cyclopropanecarboxylic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1CC1(C(=O)O)NC(=O)C2CC(CN2)OC3=NC=CC4=CC=CC=C43

Isomeric SMILES

C=CC1CC1(C(=O)O)NC(=O)C2CC(CN2)OC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C20H21N3O4/c1-2-13-10-20(13,19(25)26)23-17(24)16-9-14(11-22-16)27-18-15-6-4-3-5-12(15)7-8-21-18/h2-8,13-14,16,22H,1,9-11H2,(H,23,24)(H,25,26)