3-methoxy-4-[[6-(propan-2-yloxycarbonylamino)indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[6-(propan-2-yloxycarbonylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[6-(isopropoxycarbonylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[6-[[oxo(propan-2-yloxy)methyl]amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[6-(propan-2-yloxycarbonylamino)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[6-(isopropoxycarbonylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CC(C)OC(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C21H22N2O5/c1-13(2)28-21(26)22-17-7-6-14-8-9-23(18(14)11-17)12-16-5-4-15(20(24)25)10-19(16)27-3/h4-11,13H,12H2,1-3H3,(H,22,26)(H,24,25)