ethyl (2S)-3-phenyl-2-(4-pyren-1-ylbutanoylamino)propanoate

Systemtic Name: ethyl (2S)-3-phenyl-2-(4-pyren-1-ylbutanoylamino)propanoate Openeye Name: ethyl (2S)-3-phenyl-2-(4-pyren-1-ylbutanoylamino)propanoate CAS Name: (2S)-2-[[1-oxo-4-(1-pyrenyl)butyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-phenyl-2-(4-pyren-1-ylbutanoylamino)propanoate Traditional Name: (2S)-3-phenyl-2-(4-pyren-1-ylbutanoylamino)propionic acid ethyl ester Formula: C31H29NO3 MolecularWeight: 463.56686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H29NO3/c1-2-35-31(34)27(20-21-8-4-3-5-9-21)32-28(33)13-7-10-22-14-15-25-17-16-23-11-6-12-24-18-19-26(22)30(25)29(23)24/h3-6,8-9,11-12,14-19,27H,2,7,10,13,20H2,1H3,(H,32,33)/t27-/m0/s1