[2-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[(3-amino-3-oxo-propyl)-benzyl-amino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-amino-3-oxopropyl)-benzylamino]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-[(3-amino-3-keto-propyl)-benzyl-amino]-2-keto-ethyl] ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)N(CCC(=O)N)CC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)N(CCC(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N2O4/c24-20(26)6-7-25(13-15-4-2-1-3-5-15)21(27)14-29-23(28)22-18-9-16-8-17(11-18)12-19(22)10-16/h1-5,16-19,22H,6-14H2,(H2,24,26)