N-[(2S)-1-(cyclooctylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-1-(cyclooctylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-2-(cyclooctylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-7-methoxy-benzofuran-2-carboxamide CAS Name: N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-2-benzofurancarboxamide IUPAC Name: N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-2-(cyclooctylamino)-2-keto-1-methylol-ethyl]-7-methoxy-coumarilamide Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)NC(CO)C(=O)NC3CCCCCCC3

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)N[C@@H](CO)C(=O)NC3CCCCCCC3

InChI

InChI=1S/C21H28N2O5/c1-27-17-11-7-8-14-12-18(28-19(14)17)21(26)23-16(13-24)20(25)22-15-9-5-3-2-4-6-10-15/h7-8,11-12,15-16,24H,2-6,9-10,13H2,1H3,(H,22,25)(H,23,26)/t16-/m0/s1