ethyl 7-methoxy-5-[3-[(6-methyl-6-oxidanyl-heptan-2-yl)amino]-3-oxidanylidene-propyl]-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 7-methoxy-5-[3-[(6-methyl-6-oxidanyl-heptan-2-yl)amino]-3-oxidanylidene-propyl]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[3-[(5-hydroxy-1,5-dimethyl-hexyl)amino]-3-oxo-propyl]-7-methoxy-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[3-[(6-hydroxy-6-methylheptan-2-yl)amino]-3-oxopropyl]-7-methoxy-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-[(6-hydroxy-6-methylheptan-2-yl)amino]-3-oxopropyl]-7-methoxy-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[3-[(5-hydroxy-1,5-dimethyl-hexyl)amino]-3-keto-propyl]-7-methoxy-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C29H37NO6 MolecularWeight: 495.60718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C=C(C=C12)CCC(=O)NC(C)CCCC(C)(C)O)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C=C(C=C12)CCC(=O)NC(C)CCCC(C)(C)O)OC)C3=CC=CC=C3

InChI

InChI=1S/C29H37NO6/c1-6-35-28(32)25-22-17-20(14-15-24(31)30-19(2)11-10-16-29(3,4)33)18-23(34-5)27(22)36-26(25)21-12-8-7-9-13-21/h7-9,12-13,17-19,33H,6,10-11,14-16H2,1-5H3,(H,30,31)