ethyl (2S)-2-benzamido-3-[3,5-bis(hex-1-ynyl)-4-oxidanyl-phenyl]propanoate

Systemtic Name: ethyl (2S)-2-benzamido-3-[3,5-bis(hex-1-ynyl)-4-oxidanyl-phenyl]propanoate Openeye Name: ethyl (2S)-2-benzamido-3-[3,5-bis(hex-1-ynyl)-4-hydroxy-phenyl]propanoate CAS Name: (2S)-2-benzamido-3-[3,5-bis(hex-1-ynyl)-4-hydroxyphenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-benzamido-3-[3,5-bis(hex-1-ynyl)-4-hydroxyphenyl]propanoate Traditional Name: (2S)-2-benzamido-3-[3,5-bis(hex-1-ynyl)-4-hydroxy-phenyl]propionic acid ethyl ester Formula: C30H35NO4 MolecularWeight: 473.6032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=CC(=C1O)C#CCCCC)CC(C(=O)OCC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC#CC1=CC(=CC(=C1O)C#CCCCC)C[C@@H](C(=O)OCC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C30H35NO4/c1-4-7-9-12-18-25-20-23(21-26(28(25)32)19-13-10-8-5-2)22-27(30(34)35-6-3)31-29(33)24-16-14-11-15-17-24/h11,14-17,20-21,27,32H,4-10,22H2,1-3H3,(H,31,33)/t27-/m0/s1