(E)-4-oxidanylidene-4-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]but-2-enoic acid Openeye Name: (E)-4-[2-(5-benzyloxy-1H-indol-3-yl)ethylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]but-2-enoic acid Traditional Name: (E)-4-[2-(5-benzoxy-1H-indol-3-yl)ethylamino]-4-keto-but-2-enoic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCNC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C21H20N2O4/c24-20(8-9-21(25)26)22-11-10-16-13-23-19-7-6-17(12-18(16)19)27-14-15-4-2-1-3-5-15/h1-9,12-13,23H,10-11,14H2,(H,22,24)(H,25,26)/b9-8+