propan-2-yl 2-butyl-3-[4-[3-(butylamino)prop-1-ynyl]phenyl]carbonyl-1-benzofuran-5-carboxylate

Systemtic Name: propan-2-yl 2-butyl-3-[4-[3-(butylamino)prop-1-ynyl]phenyl]carbonyl-1-benzofuran-5-carboxylate Openeye Name: isopropyl 2-butyl-3-[4-[3-(butylamino)prop-1-ynyl]benzoyl]benzofuran-5-carboxylate CAS Name: 2-butyl-3-[[4-[3-(butylamino)prop-1-ynyl]phenyl]-oxomethyl]-5-benzofurancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-butyl-3-[4-[3-(butylamino)prop-1-ynyl]benzoyl]-1-benzofuran-5-carboxylate Traditional Name: 2-butyl-3-[4-[3-(butylamino)prop-1-ynyl]benzoyl]benzofuran-5-carboxylic acid isopropyl ester Formula: C30H35NO4 MolecularWeight: 473.6032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)C#CCNCCCC

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)C#CCNCCCC

InChI

InChI=1S/C30H35NO4/c1-5-7-11-27-28(25-20-24(16-17-26(25)35-27)30(33)34-21(3)4)29(32)23-14-12-22(13-15-23)10-9-19-31-18-8-6-2/h12-17,20-21,31H,5-8,11,18-19H2,1-4H3