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

Systemtic Name: 3-methoxy-4-[[6-(pentan-3-yloxycarbonylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[6-(1-ethylpropoxycarbonylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[6-[[oxo(pentan-3-yloxy)methyl]amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[6-(pentan-3-yloxycarbonylamino)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[6-(1-ethylpropoxycarbonylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5/c1-4-19(5-2)30-23(28)24-18-9-8-15-10-11-25(20(15)13-18)14-17-7-6-16(22(26)27)12-21(17)29-3/h6-13,19H,4-5,14H2,1-3H3,(H,24,28)(H,26,27)