3-methoxy-4-[[6-(oxolan-3-yloxycarbonylamino)indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[6-(oxolan-3-yloxycarbonylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[6-(tetrahydrofuran-3-yloxycarbonylamino)indol-1-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[6-[[oxo(3-oxolanyloxy)methyl]amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[6-(oxolan-3-yloxycarbonylamino)indol-1-yl]methyl]benzoic acid Traditional Name: 3-methoxy-4-[[6-(tetrahydrofuran-3-yloxycarbonylamino)indol-1-yl]methyl]benzoic acid Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)OC4CCOC4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)OC4CCOC4

InChI

InChI=1S/C22H22N2O6/c1-28-20-10-15(21(25)26)2-3-16(20)12-24-8-6-14-4-5-17(11-19(14)24)23-22(27)30-18-7-9-29-13-18/h2-6,8,10-11,18H,7,9,12-13H2,1H3,(H,23,27)(H,25,26)