(2S)-2-[(4,6-dimethoxy-1-methyl-indol-2-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[(4,6-dimethoxy-1-methyl-indol-2-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[(4,6-dimethoxy-1-methyl-indole-2-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(4,6-dimethoxy-1-methyl-2-indolyl)-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(4,6-dimethoxy-1-methyl-indole-2-carbonyl)amino]-3-phenyl-propionate Formula: C21H21N2O5- MolecularWeight: 381.40184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=CC(=C2C=C1C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])OC)OC

Isomeric SMILES

CN1C2=CC(=CC(=C2C=C1C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-])OC)OC

InChI

InChI=1S/C21H22N2O5/c1-23-17-10-14(27-2)11-19(28-3)15(17)12-18(23)20(24)22-16(21(25)26)9-13-7-5-4-6-8-13/h4-8,10-12,16H,9H2,1-3H3,(H,22,24)(H,25,26)/p-1/t16-/m0/s1