methyl 4-[3-[[2-(1-benzofuran-2-yl)-2-oxidanyl-ethyl]amino]-3-methyl-butyl]benzoate

Systemtic Name: methyl 4-[3-[[2-(1-benzofuran-2-yl)-2-oxidanyl-ethyl]amino]-3-methyl-butyl]benzoate Openeye Name: methyl 4-[3-[[2-(benzofuran-2-yl)-2-hydroxy-ethyl]amino]-3-methyl-butyl]benzoate CAS Name: 4-[3-[[2-(2-benzofuranyl)-2-hydroxyethyl]amino]-3-methylbutyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[[2-(1-benzofuran-2-yl)-2-hydroxyethyl]amino]-3-methylbutyl]benzoate Traditional Name: 4-[3-[[2-(benzofuran-2-yl)-2-hydroxy-ethyl]amino]-3-methyl-butyl]benzoic acid methyl ester Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC3=CC=CC=C3O2)O

Isomeric SMILES

CC(C)(CCC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC3=CC=CC=C3O2)O

InChI

InChI=1S/C23H27NO4/c1-23(2,13-12-16-8-10-17(11-9-16)22(26)27-3)24-15-19(25)21-14-18-6-4-5-7-20(18)28-21/h4-11,14,19,24-25H,12-13,15H2,1-3H3