calcium 3-[[3-chloranyl-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: calcium 3-[[3-chloranyl-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]amino]-3-oxidanylidene-propanoate Openeye Name: calcium 3-[3-chloro-4-[(3-isopropyl-1H-indol-5-yl)oxy]-5-methyl-anilino]-3-oxo-propanoate CAS Name: calcium 3-[3-chloro-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]anilino]-3-oxopropanoate IUPAC Name: calcium 3-[3-chloro-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]anilino]-3-oxopropanoate Traditional Name: calcium 3-[3-chloro-4-[(3-isopropyl-1H-indol-5-yl)oxy]-5-methyl-anilino]-3-keto-propionate Formula: C42H40CaCl2N4O8 MolecularWeight: 839.773

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC3=C(C=C2)NC=C3C(C)C)Cl)NC(=O)CC(=O)[O-].CC1=CC(=CC(=C1OC2=CC3=C(C=C2)NC=C3C(C)C)Cl)NC(=O)CC(=O)[O-].[Ca+2]

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC3=C(C=C2)NC=C3C(C)C)Cl)NC(=O)CC(=O)[O-].CC1=CC(=CC(=C1OC2=CC3=C(C=C2)NC=C3C(C)C)Cl)NC(=O)CC(=O)[O-].[Ca+2]

InChI

InChI=1S/2C21H21ClN2O4.Ca/c2*1-11(2)16-10-23-18-5-4-14(8-15(16)18)28-21-12(3)6-13(7-17(21)22)24-19(25)9-20(26)27;/h2*4-8,10-11,23H,9H2,1-3H3,(H,24,25)(H,26,27);/q;;+2/p-2