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

Systemtic Name: propan-2-yl 2-butyl-3-[4-[3-(butylamino)prop-1-ynyl]phenyl]carbonyl-1-benzofuran-5-carboxylate hydrochloride Openeye Name: isopropyl 2-butyl-3-[4-[3-(butylamino)prop-1-ynyl]benzoyl]benzofuran-5-carboxylate hydrochloride CAS Name: 2-butyl-3-[[4-[3-(butylamino)prop-1-ynyl]phenyl]-oxomethyl]-5-benzofurancarboxylic acid propan-2-yl ester hydrochloride IUPAC Name: propan-2-yl 2-butyl-3-[4-[3-(butylamino)prop-1-ynyl]benzoyl]-1-benzofuran-5-carboxylate hydrochloride Traditional Name: 2-butyl-3-[4-[3-(butylamino)prop-1-ynyl]benzoyl]benzofuran-5-carboxylic acid isopropyl ester hydrochloride Formula: C30H36ClNO4 MolecularWeight: 510.06414

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C30H35NO4.ClH/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;1H