3-[3-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethylamino)-3-oxidanylidene-propyl]-1H-indole-4-carboxylic acid

Systemtic Name: 3-[3-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethylamino)-3-oxidanylidene-propyl]-1H-indole-4-carboxylic acid Openeye Name: 3-[3-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethylamino)-3-oxo-propyl]-1H-indole-4-carboxylic acid CAS Name: 3-[3-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethylamino)-3-oxopropyl]-1H-indole-4-carboxylic acid IUPAC Name: 3-[3-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethylamino)-3-oxopropyl]-1H-indole-4-carboxylic acid Traditional Name: 3-[3-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethylamino)-3-keto-propyl]-1H-indole-4-carboxylic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1)CNC(=O)CCC3=CNC4=CC=CC(=C43)C(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2N1)CNC(=O)CCC3=CNC4=CC=CC(=C43)C(=O)O

InChI

InChI=1S/C21H21N3O4/c25-19(24-12-14-11-23-16-5-1-2-7-18(16)28-14)9-8-13-10-22-17-6-3-4-15(20(13)17)21(26)27/h1-7,10,14,22-23H,8-9,11-12H2,(H,24,25)(H,26,27)