(Z)-2-(1H-indol-3-yl)-3-(5-phenylmethoxy-1H-indol-3-yl)but-2-enedioic acid

Systemtic Name: (Z)-2-(1H-indol-3-yl)-3-(5-phenylmethoxy-1H-indol-3-yl)but-2-enedioic acid Openeye Name: (Z)-2-(5-benzyloxy-1H-indol-3-yl)-3-(1H-indol-3-yl)but-2-enedioic acid CAS Name: (Z)-2-(1H-indol-3-yl)-3-(5-phenylmethoxy-1H-indol-3-yl)-2-butenedioic acid IUPAC Name: (Z)-2-(1H-indol-3-yl)-3-(5-phenylmethoxy-1H-indol-3-yl)but-2-enedioic acid Traditional Name: (Z)-2-(5-benzoxy-1H-indol-3-yl)-3-(1H-indol-3-yl)but-2-enedioic acid Formula: C27H20N2O5 MolecularWeight: 452.4581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C(=C(C4=CNC5=CC=CC=C54)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3/C(=C(\C4=CNC5=CC=CC=C54)/C(=O)O)/C(=O)O

InChI

InChI=1S/C27H20N2O5/c30-26(31)24(20-13-28-22-9-5-4-8-18(20)22)25(27(32)33)21-14-29-23-11-10-17(12-19(21)23)34-15-16-6-2-1-3-7-16/h1-14,28-29H,15H2,(H,30,31)(H,32,33)/b25-24-