N-[4-(aminomethyl)-3-chloranyl-phenyl]-7-methoxy-2-oxidanylidene-8-propyl-chromene-3-carboxamide

Systemtic Name: N-[4-(aminomethyl)-3-chloranyl-phenyl]-7-methoxy-2-oxidanylidene-8-propyl-chromene-3-carboxamide Openeye Name: N-[4-(aminomethyl)-3-chloro-phenyl]-7-methoxy-2-oxo-8-propyl-chromene-3-carboxamide CAS Name: N-[4-(aminomethyl)-3-chlorophenyl]-7-methoxy-2-oxo-8-propyl-1-benzopyran-3-carboxamide IUPAC Name: N-[4-(aminomethyl)-3-chlorophenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide Traditional Name: N-[4-(aminomethyl)-3-chloro-phenyl]-2-keto-7-methoxy-8-propyl-chromene-3-carboxamide Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=O)C(=C2)C(=O)NC3=CC(=C(C=C3)CN)Cl)OC

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=O)C(=C2)C(=O)NC3=CC(=C(C=C3)CN)Cl)OC

InChI

InChI=1S/C21H21ClN2O4/c1-3-4-15-18(27-2)8-6-12-9-16(21(26)28-19(12)15)20(25)24-14-7-5-13(11-23)17(22)10-14/h5-10H,3-4,11,23H2,1-2H3,(H,24,25)