4-[[6-(butoxycarbonylamino)-3-chloranyl-indol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[6-(butoxycarbonylamino)-3-chloranyl-indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-(butoxycarbonylamino)-3-chloro-indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[[butoxy(oxo)methyl]amino]-3-chloro-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-(butoxycarbonylamino)-3-chloroindol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(butoxycarbonylamino)-3-chloro-indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C22H23ClN2O5 MolecularWeight: 430.88142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)O)OC)Cl

Isomeric SMILES

CCCCOC(=O)NC1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)O)OC)Cl

InChI

InChI=1S/C22H23ClN2O5/c1-3-4-9-30-22(28)24-16-7-8-17-18(23)13-25(19(17)11-16)12-15-6-5-14(21(26)27)10-20(15)29-2/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,24,28)(H,26,27)