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2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]propanoic acid

2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]propanoic acid

Systemtic Name:2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]propanoic acid
Openeye Name:3-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid
CAS Name:2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-methoxy-2-methyl-1-(phenylmethyl)-3-indolyl]propanoic acid
IUPAC Name:3-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid
Traditional Name:3-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propionic acid
Formula: C30H30N2O6S
MolecularWeight: 546.634
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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=C(N(C3=C2C=C(C=C3)OC)CC4=CC=CC=C4)C)C(=O)O


Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=C(N(C3=C2C=C(C=C3)OC)CC4=CC=CC=C4)C)C(=O)O


InChI

InChI=1S/C30H30N2O6S/c1-4-5-17-38-23-11-14-25(15-12-23)39(35,36)31-28(30(33)34)19-26-21(2)32(20-22-9-7-6-8-10-22)29-16-13-24(37-3)18-27(26)29/h6-16,18,28,31H,17,19-20H2,1-3H3,(H,33,34)


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