[4-[[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-oxidanyl-methyl]indol-1-yl] benzoate

Systemtic Name: [4-[[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-oxidanyl-methyl]indol-1-yl] benzoate Openeye Name: [4-[[2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-hydroxy-methyl]indol-1-yl] benzoate CAS Name: benzoic acid [4-[[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-hydroxymethyl]-1-indolyl] ester IUPAC Name: [4-[[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-hydroxymethyl]indol-1-yl] benzoate Traditional Name: benzoic acid [4-[[2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-hydroxy-methyl]indol-1-yl] ester Formula: C29H32N2O5 MolecularWeight: 488.57478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC=C1C(C2=C3C=CN(C3=CC=C2)OC(=O)C4=CC=CC=C4)O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC=C1C(C2=C3C=CN(C3=CC=C2)OC(=O)C4=CC=CC=C4)O)O

InChI

InChI=1S/C29H32N2O5/c1-29(2,3)30-18-21(32)19-35-26-15-8-7-12-24(26)27(33)23-13-9-14-25-22(23)16-17-31(25)36-28(34)20-10-5-4-6-11-20/h4-17,21,27,30,32-33H,18-19H2,1-3H3