(2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2R)-2-[[[3-(3-ethyl-1-methyl-3-azepanyl)phenoxy]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2R)-2-[[3-(3-ethyl-1-methylazepan-3-yl)phenoxy]carbonylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-(1H-indol-3-yl)propionic acid Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)OC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)OC(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C27H33N3O4/c1-3-27(13-6-7-14-30(2)18-27)20-9-8-10-21(16-20)34-26(33)29-24(25(31)32)15-19-17-28-23-12-5-4-11-22(19)23/h4-5,8-12,16-17,24,28H,3,6-7,13-15,18H2,1-2H3,(H,29,33)(H,31,32)/t24-,27?/m1/s1