13-cyclohexyl-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

Systemtic Name: 13-cyclohexyl-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Openeye Name: 3-benzyloxy-13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Traditional Name: 3-benzoxy-13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Formula: C31H29NO3 MolecularWeight: 463.56686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C4=C(C=CCN3C5=C2C=CC(=C5)C(=O)O)C=C(C=C4)OCC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C2=C3C4=C(C=CCN3C5=C2C=CC(=C5)C(=O)O)C=C(C=C4)OCC6=CC=CC=C6

InChI

InChI=1S/C31H29NO3/c33-31(34)24-13-15-27-28(19-24)32-17-7-12-23-18-25(35-20-21-8-3-1-4-9-21)14-16-26(23)30(32)29(27)22-10-5-2-6-11-22/h1,3-4,7-9,12-16,18-19,22H,2,5-6,10-11,17,20H2,(H,33,34)