5-[(2S)-2-benzamido-3-ethoxy-3-oxidanylidene-propyl]-2-butyl-7-hex-1-ynyl-1-benzofuran-3-carboxylic acid

Systemtic Name: 5-[(2S)-2-benzamido-3-ethoxy-3-oxidanylidene-propyl]-2-butyl-7-hex-1-ynyl-1-benzofuran-3-carboxylic acid Openeye Name: 5-[(2S)-2-benzamido-3-ethoxy-3-oxo-propyl]-2-butyl-7-hex-1-ynyl-benzofuran-3-carboxylic acid CAS Name: 5-[(2S)-2-benzamido-3-ethoxy-3-oxopropyl]-2-butyl-7-hex-1-ynyl-3-benzofurancarboxylic acid IUPAC Name: 5-[(2S)-2-benzamido-3-ethoxy-3-oxopropyl]-2-butyl-7-hex-1-ynyl-1-benzofuran-3-carboxylic acid Traditional Name: 5-[(2S)-2-benzamido-3-ethoxy-3-keto-propyl]-2-butyl-7-hex-1-ynyl-benzofuran-3-carboxylic acid Formula: C31H35NO6 MolecularWeight: 517.6127

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=CC2=C1OC(=C2C(=O)O)CCCC)CC(C(=O)OCC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC#CC1=CC(=CC2=C1OC(=C2C(=O)O)CCCC)C[C@@H](C(=O)OCC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C31H35NO6/c1-4-7-9-11-16-23-18-21(19-24-27(30(34)35)26(17-8-5-2)38-28(23)24)20-25(31(36)37-6-3)32-29(33)22-14-12-10-13-15-22/h10,12-15,18-19,25H,4-9,17,20H2,1-3H3,(H,32,33)(H,34,35)/t25-/m0/s1