pyridin-3-ylmethylcarbamoyl 2-azanyl-2-phenyl-but-3-enoate

Systemtic Name: pyridin-3-ylmethylcarbamoyl 2-azanyl-2-phenyl-but-3-enoate Openeye Name: 3-pyridylmethylcarbamoyl 2-amino-2-phenyl-but-3-enoate CAS Name: 2-amino-2-phenyl-3-butenoic acid [oxo-(3-pyridinylmethylamino)methyl] ester IUPAC Name: pyridin-3-ylmethylcarbamoyl 2-amino-2-phenylbut-3-enoate Traditional Name: 2-amino-2-phenyl-but-3-enoic acid 3-pyridylmethylcarbamoyl ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C1=CC=CC=C1)(C(=O)OC(=O)NCC2=CN=CC=C2)N

Isomeric SMILES

C=CC(C1=CC=CC=C1)(C(=O)OC(=O)NCC2=CN=CC=C2)N

InChI

InChI=1S/C17H17N3O3/c1-2-17(18,14-8-4-3-5-9-14)15(21)23-16(22)20-12-13-7-6-10-19-11-13/h2-11H,1,12,18H2,(H,20,22)