N-[(2S)-1-(1-adamantylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-ethoxy-benzamide

Systemtic Name: N-[(2S)-1-(1-adamantylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-ethoxy-benzamide Openeye Name: N-[(1S)-1-(1-adamantylmethylcarbamoyl)-2-methyl-propyl]-4-ethoxy-benzamide CAS Name: N-[(2S)-1-(1-adamantylmethylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide IUPAC Name: N-[(2S)-1-(1-adamantylmethylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide Traditional Name: N-[(1S)-1-(1-adamantylmethylcarbamoyl)-2-methyl-propyl]-4-ethoxy-benzamide Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H36N2O3/c1-4-30-21-7-5-20(6-8-21)23(28)27-22(16(2)3)24(29)26-15-25-12-17-9-18(13-25)11-19(10-17)14-25/h5-8,16-19,22H,4,9-15H2,1-3H3,(H,26,29)(H,27,28)/t17?,18?,19?,22-,25?/m0/s1