3,4-bis(azanyl)-2-(3-chlorophenyl)-3-ethyl-5-(2-hydroxyethyl)-2-phenyl-1-benzofuran-7-carboxylic acid

Systemtic Name: 3,4-bis(azanyl)-2-(3-chlorophenyl)-3-ethyl-5-(2-hydroxyethyl)-2-phenyl-1-benzofuran-7-carboxylic acid Openeye Name: 3,4-diamino-2-(3-chlorophenyl)-3-ethyl-5-(2-hydroxyethyl)-2-phenyl-benzofuran-7-carboxylic acid CAS Name: 3,4-diamino-2-(3-chlorophenyl)-3-ethyl-5-(2-hydroxyethyl)-2-phenyl-7-benzofurancarboxylic acid IUPAC Name: 3,4-diamino-2-(3-chlorophenyl)-3-ethyl-5-(2-hydroxyethyl)-2-phenyl-1-benzofuran-7-carboxylic acid Traditional Name: 3,4-diamino-2-(3-chlorophenyl)-3-ethyl-5-(2-hydroxyethyl)-2-phenyl-coumaran-7-carboxylic acid Formula: C25H25ClN2O4 MolecularWeight: 452.93

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C(=CC(=C2N)CCO)C(=O)O)OC1(C3=CC=CC=C3)C4=CC(=CC=C4)Cl)N

Isomeric SMILES

CCC1(C2=C(C(=CC(=C2N)CCO)C(=O)O)OC1(C3=CC=CC=C3)C4=CC(=CC=C4)Cl)N

InChI

InChI=1S/C25H25ClN2O4/c1-2-24(28)20-21(27)15(11-12-29)13-19(23(30)31)22(20)32-25(24,16-7-4-3-5-8-16)17-9-6-10-18(26)14-17/h3-10,13-14,29H,2,11-12,27-28H2,1H3,(H,30,31)