3-[4-(prop-2-enoxycarbonylamino)phenyl]propyl 1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylate

Systemtic Name: 3-[4-(prop-2-enoxycarbonylamino)phenyl]propyl 1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylate Openeye Name: 3-[4-(allyloxycarbonylamino)phenyl]propyl 1-[2-(1-adamantyl)-2-oxo-ethyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-(1-adamantyl)-2-oxoethyl]-2-pyrrolidinecarboxylic acid 3-[4-[[oxo(prop-2-enoxy)methyl]amino]phenyl]propyl ester IUPAC Name: 3-[4-(prop-2-enoxycarbonylamino)phenyl]propyl 1-[2-(1-adamantyl)-2-oxoethyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-(1-adamantyl)-2-keto-ethyl]pyrrolidine-2-carboxylic acid 3-[4-(allyloxycarbonylamino)phenyl]propyl ester Formula: C30H40N2O5 MolecularWeight: 508.649

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)NC1=CC=C(C=C1)CCCOC(=O)C2CCCN2CC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCOC(=O)NC1=CC=C(C=C1)CCCOC(=O)C2CCCN2CC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H40N2O5/c1-2-12-37-29(35)31-25-9-7-21(8-10-25)5-4-13-36-28(34)26-6-3-11-32(26)20-27(33)30-17-22-14-23(18-30)16-24(15-22)19-30/h2,7-10,22-24,26H,1,3-6,11-20H2,(H,31,35)