magnesium; carbonic acid; 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: magnesium; carbonic acid; 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: magnesium; carbonic acid; 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: magnesium; carbonic acid; 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: magnesium; carbonic acid; 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: magnesium; 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate; carbonic acid Formula: C51H60MgN4O13 MolecularWeight: 961.3461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-].CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-].C(=O)(O)O.[Mg+2]

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-].CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-].C(=O)(O)O.[Mg+2]

InChI

InChI=1S/2C25H30N2O5.CH2O3.Mg/c2*1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30;2-1(3)4;/h2*4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30);(H2,2,3,4);/q;;;+2/p-2