4-azanyl-5-[[4-[(2-azanyl-3-cyano-1H-indol-5-yl)oxy]phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[4-[(2-azanyl-3-cyano-1H-indol-5-yl)oxy]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]anilino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]anilino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]anilino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]anilino]-5-keto-valeric acid Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(CCC(=O)O)N)OC2=CC3=C(C=C2)NC(=C3C#N)N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C(CCC(=O)O)N)OC2=CC3=C(C=C2)NC(=C3C#N)N

InChI

InChI=1S/C20H19N5O4/c21-10-15-14-9-13(5-7-17(14)25-19(15)23)29-12-3-1-11(2-4-12)24-20(28)16(22)6-8-18(26)27/h1-5,7,9,16,25H,6,8,22-23H2,(H,24,28)(H,26,27)