methyl 3-[[1-(2-adamantyloxycarbonylamino)indol-3-yl]methyl]-4-oxidanylidene-4-(phenethylamino)butanoate

Systemtic Name: methyl 3-[[1-(2-adamantyloxycarbonylamino)indol-3-yl]methyl]-4-oxidanylidene-4-(phenethylamino)butanoate Openeye Name: methyl 3-[[1-(2-adamantyloxycarbonylamino)indol-3-yl]methyl]-4-oxo-4-(phenethylamino)butanoate CAS Name: 3-[[1-[[2-adamantyloxy(oxo)methyl]amino]-3-indolyl]methyl]-4-oxo-4-(phenethylamino)butanoic acid methyl ester IUPAC Name: methyl 3-[[1-(2-adamantyloxycarbonylamino)indol-3-yl]methyl]-4-oxo-4-(phenethylamino)butanoate Traditional Name: 3-[[1-(2-adamantyloxycarbonylamino)indol-3-yl]methyl]-4-keto-4-(phenethylamino)butyric acid methyl ester Formula: C33H39N3O5 MolecularWeight: 557.67986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC1=CN(C2=CC=CC=C21)NC(=O)OC3C4CC5CC(C4)CC3C5)C(=O)NCCC6=CC=CC=C6

Isomeric SMILES

COC(=O)CC(CC1=CN(C2=CC=CC=C21)NC(=O)OC3C4CC5CC(C4)CC3C5)C(=O)NCCC6=CC=CC=C6

InChI

InChI=1S/C33H39N3O5/c1-40-30(37)19-26(32(38)34-12-11-21-7-3-2-4-8-21)18-27-20-36(29-10-6-5-9-28(27)29)35-33(39)41-31-24-14-22-13-23(16-24)17-25(31)15-22/h2-10,20,22-26,31H,11-19H2,1H3,(H,34,38)(H,35,39)