[7-(1-adamantyl)-6-aminocarbonyl-1-pentoxy-naphthalen-2-yl] benzoate

Systemtic Name: [7-(1-adamantyl)-6-aminocarbonyl-1-pentoxy-naphthalen-2-yl] benzoate Openeye Name: [7-(1-adamantyl)-6-carbamoyl-1-pentoxy-2-naphthyl] benzoate CAS Name: benzoic acid [7-(1-adamantyl)-6-carbamoyl-1-pentoxy-2-naphthalenyl] ester IUPAC Name: [7-(1-adamantyl)-6-carbamoyl-1-pentoxynaphthalen-2-yl] benzoate Traditional Name: benzoic acid [7-(1-adamantyl)-1-amoxy-6-carbamoyl-2-naphthyl] ester Formula: C33H37NO4 MolecularWeight: 511.65118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC2=CC(=C(C=C21)C34CC5CC(C3)CC(C5)C4)C(=O)N)OC(=O)C6=CC=CC=C6

Isomeric SMILES

CCCCCOC1=C(C=CC2=CC(=C(C=C21)C34CC5CC(C3)CC(C5)C4)C(=O)N)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C33H37NO4/c1-2-3-7-12-37-30-26-17-28(33-18-21-13-22(19-33)15-23(14-21)20-33)27(31(34)35)16-25(26)10-11-29(30)38-32(36)24-8-5-4-6-9-24/h4-6,8-11,16-17,21-23H,2-3,7,12-15,18-20H2,1H3,(H2,34,35)