9-phenylmethoxy-5H-pyrimido[5,4-b]indole-2-carboxylic acid

Systemtic Name: 9-phenylmethoxy-5H-pyrimido[5,4-b]indole-2-carboxylic acid Openeye Name: 9-benzyloxy-5H-pyrimido[5,4-b]indole-2-carboxylic acid CAS Name: 9-phenylmethoxy-5H-pyrimido[5,4-b]indole-2-carboxylic acid IUPAC Name: 9-phenylmethoxy-5H-pyrimido[5,4-b]indole-2-carboxylic acid Traditional Name: 9-benzoxy-5H-pyrimid[5,4-b]indole-2-carboxylic acid Formula: C18H13N3O3 MolecularWeight: 319.31412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC3=C2C4=NC(=NC=C4N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC3=C2C4=NC(=NC=C4N3)C(=O)O

InChI

InChI=1S/C18H13N3O3/c22-18(23)17-19-9-13-16(21-17)15-12(20-13)7-4-8-14(15)24-10-11-5-2-1-3-6-11/h1-9,20H,10H2,(H,22,23)