[6-azanyl-1-(phenylcarbonyloxy)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl] benzoate

Systemtic Name: [6-azanyl-1-(phenylcarbonyloxy)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl] benzoate Openeye Name: (6-amino-1-benzoyloxy-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl) benzoate CAS Name: benzoic acid (6-amino-1-benzoyloxy-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl) ester IUPAC Name: (6-amino-1-benzoyloxy-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl) benzoate Traditional Name: benzoic acid (6-amino-1-benzoyloxy-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl) ester Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(CCC3=CC(=C(C(=C23)C1)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)N

Isomeric SMILES

C1CC2C(CCC3=CC(=C(C(=C23)C1)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C27H25NO4/c28-22-15-14-19-16-23(31-26(29)17-8-3-1-4-9-17)25(21-13-7-12-20(22)24(19)21)32-27(30)18-10-5-2-6-11-18/h1-6,8-11,16,20,22H,7,12-15,28H2