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

Systemtic Name: N-[(2S)-1-[methyl-(phenylmethyl)amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-2-[benzyl(methyl)amino]-1-(hydroxymethyl)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-3-hydroxy-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-1-[benzyl(methyl)amino]-3-hydroxy-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-[benzyl(methyl)amino]-2-keto-1-methylol-ethyl]-4-pyren-1-yl-butyramide Formula: C31H30N2O3 MolecularWeight: 478.5815

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C(CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)[C@H](CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C31H30N2O3/c1-33(19-21-7-3-2-4-8-21)31(36)27(20-34)32-28(35)12-6-9-22-13-14-25-16-15-23-10-5-11-24-17-18-26(22)30(25)29(23)24/h2-5,7-8,10-11,13-18,27,34H,6,9,12,19-20H2,1H3,(H,32,35)/t27-/m0/s1