3-methanoyl-1-(phenylmethyl)indole-2-carboxylate

Systemtic Name: 3-methanoyl-1-(phenylmethyl)indole-2-carboxylate Openeye Name: 1-benzyl-3-formyl-indole-2-carboxylate CAS Name: 3-formyl-1-(phenylmethyl)-2-indolecarboxylate IUPAC Name: 1-benzyl-3-formylindole-2-carboxylate Traditional Name: 1-benzyl-3-formyl-indole-2-carboxylate Formula: C17H12NO3- MolecularWeight: 278.28208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)[O-])C=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)[O-])C=O

InChI

InChI=1S/C17H13NO3/c19-11-14-13-8-4-5-9-15(13)18(16(14)17(20)21)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,20,21)/p-1