(2S)-2-[[(Z)-indol-3-ylidenemethyl]amino]-3-phenyl-propanoate; nickel(2+)

Systemtic Name: (2S)-2-[[(Z)-indol-3-ylidenemethyl]amino]-3-phenyl-propanoate; nickel(2+) Openeye Name: nickelous (2S)-2-[[(Z)-indol-3-ylidenemethyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(Z)-3-indolylidenemethyl]amino]-3-phenylpropanoate; nickel(2+) IUPAC Name: (2S)-2-[[(Z)-indol-3-ylidenemethyl]amino]-3-phenylpropanoate; nickel(2+) Traditional Name: nickelous (2S)-2-[[(Z)-indol-3-ylidenemethyl]amino]-3-phenyl-propionate Formula: C36H30N4NiO4 MolecularWeight: 641.3412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC=C2C=NC3=CC=CC=C32.C1=CC=C(C=C1)CC(C(=O)[O-])NC=C2C=NC3=CC=CC=C32.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](N/C=C\2/C3=CC=CC=C3N=C2)C(=O)[O-].C1=CC=C(C=C1)C[C@H](N/C=C\2/C3=CC=CC=C3N=C2)C(=O)[O-].[Ni+2]

InChI

InChI=1S/2C18H16N2O2.Ni/c2*21-18(22)17(10-13-6-2-1-3-7-13)20-12-14-11-19-16-9-5-4-8-15(14)16;/h2*1-9,11-12,17,20H,10H2,(H,21,22);/q;;+2/p-2/b2*14-12+;/t2*17-;/m00./s1