2-(5-methyl-2-propan-2-yl-cyclohexyl)oxyethyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: 2-(5-methyl-2-propan-2-yl-cyclohexyl)oxyethyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: 2-(2-isopropyl-5-methyl-cyclohexoxy)ethyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl ester IUPAC Name: 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid 2-(2-isopropyl-5-methyl-cyclohexoxy)ethyl ester Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCCOC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OCCOC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C)C(C)C

InChI

InChI=1S/C25H36N2O4/c1-16(2)20-10-9-17(3)13-24(20)30-11-12-31-25(29)23(27-18(4)28)14-19-15-26-22-8-6-5-7-21(19)22/h5-8,15-17,20,23-24,26H,9-14H2,1-4H3,(H,27,28)/t17?,20?,23-,24?/m0/s1