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

Systemtic Name: 4-[[3-chloranyl-6-(cyclopentyloxycarbonylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[3-chloro-6-(cyclopentoxycarbonylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[3-chloro-6-[[cyclopentyloxy(oxo)methyl]amino]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[3-chloro-6-(cyclopentyloxycarbonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[3-chloro-6-(cyclopentoxycarbonylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C23H23ClN2O5 MolecularWeight: 442.89212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN2C=C(C3=C2C=C(C=C3)NC(=O)OC4CCCC4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C=C(C3=C2C=C(C=C3)NC(=O)OC4CCCC4)Cl

InChI

InChI=1S/C23H23ClN2O5/c1-30-21-10-14(22(27)28)6-7-15(21)12-26-13-19(24)18-9-8-16(11-20(18)26)25-23(29)31-17-4-2-3-5-17/h6-11,13,17H,2-5,12H2,1H3,(H,25,29)(H,27,28)