1-[(3-methoxyphenyl)methyl]-4-(3-oxidanylazetidin-1-yl)carbonyl-indole-2-carboxylic acid

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-(3-oxidanylazetidin-1-yl)carbonyl-indole-2-carboxylic acid Openeye Name: 4-(3-hydroxyazetidine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid CAS Name: 4-[(3-hydroxy-1-azetidinyl)-oxomethyl]-1-[(3-methoxyphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 4-(3-hydroxyazetidine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Traditional Name: 4-(3-hydroxyazetidine-1-carbonyl)-1-m-anisyl-indole-2-carboxylic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C3=CC=CC(=C3C=C2C(=O)O)C(=O)N4CC(C4)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2C3=CC=CC(=C3C=C2C(=O)O)C(=O)N4CC(C4)O

InChI

InChI=1S/C21H20N2O5/c1-28-15-5-2-4-13(8-15)10-23-18-7-3-6-16(17(18)9-19(23)21(26)27)20(25)22-11-14(24)12-22/h2-9,14,24H,10-12H2,1H3,(H,26,27)