(4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H35N3O4/c30-23(33-17-18-3-5-22(6-4-18)24(31)29-9-1-2-10-29)7-8-27-25(32)28-26-14-19-11-20(15-26)13-21(12-19)16-26/h3-6,19-21H,1-2,7-17H2,(H2,27,28,32)