methyl (2S)-2-[(1-methyl-5-pentoxy-indol-2-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(1-methyl-5-pentoxy-indol-2-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(1-methyl-5-pentoxy-indole-2-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(1-methyl-5-pentoxy-2-indolyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-methyl-5-pentoxyindole-2-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(5-amoxy-1-methyl-indole-2-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCCCCOC1=CC2=C(C=C1)N(C(=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C25H30N2O4/c1-4-5-9-14-31-20-12-13-22-19(16-20)17-23(27(22)2)24(28)26-21(25(29)30-3)15-18-10-7-6-8-11-18/h6-8,10-13,16-17,21H,4-5,9,14-15H2,1-3H3,(H,26,28)/t21-/m0/s1