3-(1H-indol-3-yl)-2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[(4-keto-5-methyl-3,1-benzoxazin-2-yl)amino]propionic acid Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C20H17N3O4/c1-11-5-4-8-15-17(11)19(26)27-20(22-15)23-16(18(24)25)9-12-10-21-14-7-3-2-6-13(12)14/h2-8,10,16,21H,9H2,1H3,(H,22,23)(H,24,25)