(2S)-2-[2-(1,3-benzodioxol-5-yl)ethanoylamino]-3-oxidanyl-N-quinolin-6-yl-propanamide

Systemtic Name: (2S)-2-[2-(1,3-benzodioxol-5-yl)ethanoylamino]-3-oxidanyl-N-quinolin-6-yl-propanamide Openeye Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-hydroxy-N-(6-quinolyl)propanamide CAS Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]amino]-3-hydroxy-N-(6-quinolinyl)propanamide IUPAC Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-hydroxy-N-quinolin-6-ylpropanamide Traditional Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-hydroxy-N-(6-quinolyl)propionamide Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(=O)NC(CO)C(=O)NC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(=O)N[C@@H](CO)C(=O)NC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C21H19N3O5/c25-11-17(21(27)23-15-4-5-16-14(10-15)2-1-7-22-16)24-20(26)9-13-3-6-18-19(8-13)29-12-28-18/h1-8,10,17,25H,9,11-12H2,(H,23,27)(H,24,26)/t17-/m0/s1