N-[(2S)-1-morpholin-4-yl-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide

Systemtic Name: N-[(2S)-1-morpholin-4-yl-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-morpholino-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-3-hydroxy-1-(4-morpholinyl)-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-morpholino-ethyl]-4-pyren-1-yl-butyramide Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1COCCN1C(=O)[C@H](CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C27H28N2O4/c30-17-23(27(32)29-13-15-33-16-14-29)28-24(31)6-2-3-18-7-8-21-10-9-19-4-1-5-20-11-12-22(18)26(21)25(19)20/h1,4-5,7-12,23,30H,2-3,6,13-17H2,(H,28,31)/t23-/m0/s1