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

Systemtic Name: N-[(2S)-1-[(4-methoxyphenyl)amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-(4-methoxyanilino)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(p-anisidino)ethyl]-4-pyren-1-yl-butyramide Formula: C30H28N2O4 MolecularWeight: 480.55432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)[C@H](CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C30H28N2O4/c1-36-24-15-13-23(14-16-24)31-30(35)26(18-33)32-27(34)7-3-4-19-8-9-22-11-10-20-5-2-6-21-12-17-25(19)29(22)28(20)21/h2,5-6,8-17,26,33H,3-4,7,18H2,1H3,(H,31,35)(H,32,34)/t26-/m0/s1