3-(2-azaniumylethyl)-5-phenylmethoxy-1H-indole-2-carboxylate

Systemtic Name: 3-(2-azaniumylethyl)-5-phenylmethoxy-1H-indole-2-carboxylate Openeye Name: 3-(2-azaniumylethyl)-5-benzyloxy-1H-indole-2-carboxylate CAS Name: 3-(2-ammonioethyl)-5-phenylmethoxy-1H-indole-2-carboxylate IUPAC Name: 3-(2-azaniumylethyl)-5-phenylmethoxy-1H-indole-2-carboxylate Traditional Name: 3-(2-ammonioethyl)-5-benzoxy-1H-indole-2-carboxylate Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3CC[NH3+])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3CC[NH3+])C(=O)[O-]

InChI

InChI=1S/C18H18N2O3/c19-9-8-14-15-10-13(23-11-12-4-2-1-3-5-12)6-7-16(15)20-17(14)18(21)22/h1-7,10,20H,8-9,11,19H2,(H,21,22)