1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine; (E)-4-oxidanylidene-4-(4-phenylmethoxyphenoxy)but-2-enoic acid

Systemtic Name: 1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine; (E)-4-oxidanylidene-4-(4-phenylmethoxyphenoxy)but-2-enoic acid Openeye Name: (E)-4-(4-benzyloxyphenoxy)-4-oxo-but-2-enoic acid; 1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine CAS Name: 1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine; (E)-4-oxo-4-(4-phenylmethoxyphenoxy)-2-butenoic acid IUPAC Name: 1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine; (E)-4-oxo-4-(4-phenylmethoxyphenoxy)but-2-enoic acid Traditional Name: (E)-4-(4-benzoxyphenoxy)-4-keto-but-2-enoic acid; 1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NCCN2C1=CC=C2.C1=CC=C(C=C1)COC2=CC=C(C=C2)OC(=O)C=CC(=O)O

Isomeric SMILES

CC1=NCCN2C1=CC=C2.C1=CC=C(C=C1)COC2=CC=C(C=C2)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C17H14O5.C8H10N2/c18-16(19)10-11-17(20)22-15-8-6-14(7-9-15)21-12-13-4-2-1-3-5-13;1-7-8-3-2-5-10(8)6-4-9-7/h1-11H,12H2,(H,18,19);2-3,5H,4,6H2,1H3/b11-10+;