2-diethylaminoethyl 4-[[(2S)-2-(1-adamantylcarbonylamino)propanoyl]amino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[(2S)-2-(1-adamantylcarbonylamino)propanoyl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C27H39N3O4 MolecularWeight: 469.61626

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C27H39N3O4/c1-4-30(5-2)10-11-34-25(32)22-6-8-23(9-7-22)29-24(31)18(3)28-26(33)27-15-19-12-20(16-27)14-21(13-19)17-27/h6-9,18-21H,4-5,10-17H2,1-3H3,(H,28,33)(H,29,31)/t18-,19?,20?,21?,27?/m0/s1