phenyl N-[3-[4-[3-(phenoxycarbonylamino)propyl-(phenylmethyl)amino]butyl-(phenylmethyl)amino]propyl]carbamate

Systemtic Name: phenyl N-[3-[4-[3-(phenoxycarbonylamino)propyl-(phenylmethyl)amino]butyl-(phenylmethyl)amino]propyl]carbamate Openeye Name: phenyl N-[3-[benzyl-[4-[benzyl-[3-(phenoxycarbonylamino)propyl]amino]butyl]amino]propyl]carbamate CAS Name: N-[3-[4-[3-[[oxo(phenoxy)methyl]amino]propyl-(phenylmethyl)amino]butyl-(phenylmethyl)amino]propyl]carbamic acid phenyl ester IUPAC Name: phenyl N-[3-[benzyl-[4-[benzyl-[3-(phenoxycarbonylamino)propyl]amino]butyl]amino]propyl]carbamate Traditional Name: N-[3-[benzyl-[4-[benzyl-[3-(carbophenoxyamino)propyl]amino]butyl]amino]propyl]carbamic acid phenyl ester Formula: C38H46N4O4 MolecularWeight: 628.755185

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCCN(CCCNC(=O)OC2=CC=CC=C2)CC3=CC=CC=C3)CCCNC(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[15N](CCC[15NH]C(=O)OC2=CC=CC=C2)[13CH2]CC[13CH2][15N](CCC[15NH]C(=O)OC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C38H46N4O4/c43-37(45-35-21-9-3-10-22-35)39-25-15-29-41(31-33-17-5-1-6-18-33)27-13-14-28-42(32-34-19-7-2-8-20-34)30-16-26-40-38(44)46-36-23-11-4-12-24-36/h1-12,17-24H,13-16,25-32H2,(H,39,43)(H,40,44)/i27+1,28+1,39+1,40+1,41+1,42+1