calcium 2-[(4-chlorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: calcium 2-[(4-chlorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: calcium 2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: calcium 2-[[(4-chlorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: calcium 2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: calcium 2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propionate Formula: C36H28CaCl2N4O6 MolecularWeight: 723.61472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)C3=CC=C(C=C3)Cl.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)C3=CC=C(C=C3)Cl.[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)C3=CC=C(C=C3)Cl.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)C3=CC=C(C=C3)Cl.[Ca+2]

InChI

InChI=1S/2C18H15ClN2O3.Ca/c2*19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15;/h2*1-8,10,16,20H,9H2,(H,21,22)(H,23,24);/q;;+2/p-2