3-(1-adamantyl)-4-[(E)-5-(2-azanyl-2-oxidanylidene-ethoxy)-2-methyl-1-phenyl-pent-1-enyl]benzoic acid

Systemtic Name: 3-(1-adamantyl)-4-[(E)-5-(2-azanyl-2-oxidanylidene-ethoxy)-2-methyl-1-phenyl-pent-1-enyl]benzoic acid Openeye Name: 3-(1-adamantyl)-4-[(E)-5-(2-amino-2-oxo-ethoxy)-2-methyl-1-phenyl-pent-1-enyl]benzoic acid CAS Name: 3-(1-adamantyl)-4-[(E)-5-(2-amino-2-oxoethoxy)-2-methyl-1-phenylpent-1-enyl]benzoic acid IUPAC Name: 3-(1-adamantyl)-4-[(E)-5-(2-amino-2-oxoethoxy)-2-methyl-1-phenylpent-1-enyl]benzoic acid Traditional Name: 3-(1-adamantyl)-4-[(E)-5-(2-amino-2-keto-ethoxy)-2-methyl-1-phenyl-pent-1-enyl]benzoic acid Formula: C31H37NO4 MolecularWeight: 487.62978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=CC=CC=C1)C2=C(C=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4)CCCOCC(=O)N

Isomeric SMILES

C/C(=C(/C1=CC=CC=C1)\C2=C(C=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4)/CCCOCC(=O)N

InChI

InChI=1S/C31H37NO4/c1-20(6-5-11-36-19-28(32)33)29(24-7-3-2-4-8-24)26-10-9-25(30(34)35)15-27(26)31-16-21-12-22(17-31)14-23(13-21)18-31/h2-4,7-10,15,21-23H,5-6,11-14,16-19H2,1H3,(H2,32,33)(H,34,35)/b29-20+