2-[[6-chloranyl-3-oxidanylidene-4-(phenylmethyl)pyrazin-2-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[6-chloranyl-3-oxidanylidene-4-(phenylmethyl)pyrazin-2-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[(4-benzyl-6-chloro-3-oxo-pyrazin-2-yl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[6-chloro-3-oxo-4-(phenylmethyl)-2-pyrazinyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(4-benzyl-6-chloro-3-keto-pyrazin-2-yl)amino]-3-phenyl-propionic acid Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC2=NC(=CN(C2=O)CC3=CC=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC2=NC(=CN(C2=O)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H18ClN3O3/c21-17-13-24(12-15-9-5-2-6-10-15)19(25)18(23-17)22-16(20(26)27)11-14-7-3-1-4-8-14/h1-10,13,16H,11-12H2,(H,22,23)(H,26,27)