2-azanyl-2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]ethanoic acid

Systemtic Name: 2-azanyl-2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]ethanoic acid Openeye Name: 2-amino-2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)acetic acid CAS Name: 2-amino-2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]acetic acid IUPAC Name: 2-amino-2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)acetic acid Traditional Name: 2-amino-2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)acetic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=CC=C2N1CC3=CC=CC=C3)C(C(=O)O)N)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(C=CC=C2N1CC3=CC=CC=C3)C(C(=O)O)N)C(=O)C(=O)N

InChI

InChI=1S/C21H21N3O4/c1-2-14-17(19(25)20(23)26)16-13(18(22)21(27)28)9-6-10-15(16)24(14)11-12-7-4-3-5-8-12/h3-10,18H,2,11,22H2,1H3,(H2,23,26)(H,27,28)